NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6794 8.3649 120.5294 54.4332 42.3337 174.8407 4 C 4.9131 8.2227 116.1920 52.7118 44.1767 172.0363 5 P 4.6763 0.0000 0.0000 63.0592 34.0420 180.3678 6 S 3.7003 8.1166 116.4268 60.0668 62.8762 172.7119 7 D 4.9452 9.0835 127.1685 53.8150 39.1655 176.0797 8 W 4.5008 8.7024 119.8133 57.6393 29.9532 175.6522 9 T 4.8626 9.4230 119.7931 62.0069 70.4064 173.8091 10 A 5.1212 8.6654 127.2938 51.6797 20.5237 176.2560 11 Y 3.9168 9.2835 118.3127 58.3196 42.6969 174.2601 12 D 3.9057 8.7243 127.3639 55.4738 39.4729 173.4689 13 Q 3.6363 7.8370 113.7925 56.8980 26.7866 172.9718 14 H 4.8327 8.4790 114.8454 54.2040 33.6790 171.5099 15 C 5.6067 8.3755 116.9087 55.5893 39.5491 173.0641 16 Y 5.7489 9.6840 119.6264 56.6025 42.4184 174.2952 17 L 4.5166 8.5024 122.5836 53.6271 45.8130 174.2687 18 A 4.6186 8.3277 128.1791 51.1266 20.1673 176.2251 19 I 3.9412 8.6327 124.5013 59.2958 38.5613 177.3540 20 G 3.2301 8.6743 116.8838 47.8072 0.0000 173.4651 21 E 3.9749 7.7572 120.0343 55.1978 29.5863 174.7686 22 P 4.7502 0.0000 0.0000 63.2087 32.3208 175.6100 23 Q 4.7886 9.0801 120.3282 54.3045 34.1011 173.9897 24 N 5.9094 9.3761 119.3139 51.5744 39.1314 176.0567 25 W 2.5400 8.2061 128.0238 60.2876 30.3134 177.4117 26 Y 4.1823 7.2784 115.8829 61.2694 37.3213 178.3691 27 E 3.9533 9.0357 119.6760 59.0360 29.4039 179.3530 28 A 2.7873 7.5115 121.0196 54.5413 18.2293 179.1902 29 E 3.4139 7.2094 117.8361 59.2159 29.5288 178.9933 30 R 3.8060 7.8352 118.6205 59.2850 30.1535 177.9782 31 F 4.0380 8.3566 120.6859 61.8128 39.1652 176.4390 32 C 4.6546 8.7228 116.4051 60.4117 39.7926 176.3127 33 T 3.9624 7.7696 111.7163 63.8613 68.4232 175.9706 34 E 4.1491 7.9698 120.5323 58.0781 29.9688 177.6743 35 Q 4.1818 8.0898 115.5447 55.2256 29.7643 175.4723 36 A 4.0607 6.8507 122.5398 49.6127 22.2278 175.3555 37 K 3.8649 7.6221 122.6947 57.5079 32.2488 176.1537 38 D 4.3735 8.6519 125.9911 55.2661 38.3726 174.2666 39 G 3.9975 7.5730 105.4180 46.3648 0.0000 173.1037 40 H 5.1069 8.8532 116.5555 54.0914 33.9643 173.3128 41 L 4.6376 8.8279 120.7950 54.7441 42.3320 178.0150 42 V 3.9793 8.8985 122.3132 62.1490 32.4682 175.1842 43 S 4.9366 8.7304 117.5005 56.4669 64.9996 173.4930 44 I 4.6520 8.2836 123.9536 60.2807 38.3998 175.1053 45 Q 4.7212 9.1827 124.2337 55.4600 29.4142 176.1438 46 S 4.6756 7.5872 112.0290 56.3398 66.6428 175.6846 47 R 3.9427 8.5055 122.5855 59.6599 29.7968 178.6227 48 E 4.0298 8.1827 117.9059 59.5059 29.5518 178.7451 49 E 3.5781 8.3898 119.4494 59.0468 29.5646 179.0683 50 G 3.7296 8.2908 105.9141 47.9145 0.0000 175.5033 51 N 4.4215 8.3599 118.8784 55.8435 38.4412 177.3555 52 F 3.9514 8.0670 122.1431 61.2677 39.4381 177.4134 53 V 2.9760 7.9048 117.9693 65.6299 31.0345 177.7651 54 A 3.9218 7.8623 120.0046 55.2015 18.5167 179.1123 55 Q 3.9035 7.9495 118.0501 59.0589 28.8621 178.0637 56 L 3.6474 7.3345 120.8478 57.2064 42.1244 178.4165 57 V 3.5594 7.1394 110.5301 60.8499 31.9073 177.7224 58 S 4.2432 7.6837 117.6300 61.5590 62.5809 176.7378 59 G 3.5630 7.6904 108.5770 47.1514 0.0000 174.7589 60 F 4.9665 8.0407 118.8903 59.0378 38.8225 177.2243 61 M 4.2080 8.0784 118.4520 58.2461 31.7703 177.5429 62 H 4.4899 7.8788 113.8668 56.6278 29.2950 175.8901 63 R 4.3409 7.1079 119.3078 55.2061 30.7710 176.8051 64 S 4.2119 8.3785 113.5630 60.8340 63.4468 175.0270 65 E 4.0480 8.0897 121.0234 56.8047 29.5661 176.5198 66 I 3.8817 8.2613 115.8099 61.4062 38.9665 174.5119 67 Y 5.8861 7.1673 118.7807 55.3021 42.3729 174.7075 68 V 4.3332 7.9082 119.7155 60.6437 35.0057 174.7415 69 W 5.1098 8.9382 128.6312 57.1859 30.4387 175.2571 70 I 4.7819 8.8346 115.9786 58.3513 41.1247 175.4266 71 G 4.1729 8.9761 109.8892 46.1177 0.0000 173.0213 72 L 4.8191 7.8038 122.4125 53.0521 43.9697 175.3512 73 R 4.6038 8.1592 120.5746 55.4354 32.2747 173.3032 74 D 4.6868 8.3304 120.4305 52.7289 41.8088 176.4668 75 R 4.1209 8.6354 124.3097 56.6418 30.3578 176.8672 76 R 4.1416 7.8941 115.3798 55.8050 30.0173 176.4785 77 E 4.0672 8.5192 119.0929 58.6956 29.9685 177.0948 78 E 4.2133 7.8827 116.8235 56.4022 29.9970 176.6783 79 Q 4.2784 8.5493 118.7721 56.6742 29.1454 175.2742 80 Q 4.4553 7.4730 114.7143 55.9642 31.2191 173.4151 81 C 4.3316 8.3770 114.5192 61.1053 29.3052 174.6015 82 N 4.2489 8.0801 118.0197 53.3666 38.7929 172.7424 83 P 4.4614 0.0000 0.0000 64.5128 32.4185 175.6655 84 E 5.1795 8.1539 117.5882 54.1088 33.5440 175.1347 85 W 4.4537 9.1802 122.1367 55.7916 30.0464 177.2304 86 N 4.3380 9.1793 117.2538 56.2277 36.3717 175.4895 87 D 4.6299 8.2745 115.3971 53.0919 39.7314 176.8869 88 G 4.0969 8.4043 110.1426 45.8374 0.0000 174.5284 89 S 4.5065 8.3845 114.5818 57.9778 64.4055 174.1232 90 K 4.6810 8.6539 120.7913 56.7125 32.8304 176.6694 91 I 4.0147 8.2856 125.4927 60.9545 37.1050 174.3475 92 I 4.4222 8.7695 126.8181 62.6165 40.2588 174.8468 93 Y 4.2080 7.9963 121.9448 57.9040 39.4956 176.0346 94 V 4.0958 7.2029 118.7202 59.9383 36.2890 174.8121 95 N 4.7087 7.1625 117.8175 52.0167 38.7620 174.3457 96 W 4.4902 7.3678 119.3782 56.0583 30.6952 176.9949 97 K 4.2815 8.7293 123.0626 55.6198 32.4962 175.8887 98 E 4.1559 8.6059 121.0330 58.2064 29.5447 177.6767 99 G 4.0208 9.0478 110.3473 45.6174 0.0000 173.6642 100 E 4.1249 8.0840 117.5680 56.6678 29.8011 176.0359 101 S 3.9043 7.7050 115.1718 56.7121 62.8610 172.7252 102 K 4.4193 8.0953 127.2058 54.9358 32.8076 175.4462 103 M 4.4954 8.2510 120.6984 54.7704 33.2852 176.0799 104 C 5.0842 7.8259 116.7061 55.0041 38.9154 172.9247 105 Q 5.3686 8.8443 119.2385 54.4737 32.1574 174.9459 106 G 4.5061 8.7001 107.5944 44.4772 0.0000 171.9869 107 L 5.1345 9.2985 121.1706 54.8750 43.2210 176.2123 108 T 5.0491 8.8262 112.7141 59.8632 70.6136 175.6985 109 K 2.4800 8.6053 127.3268 58.6372 32.3441 178.8774 110 W 4.2994 7.3189 117.7060 59.0768 29.0249 176.5924 111 T 4.5213 7.4111 107.5337 61.0180 68.4245 174.1973 112 N 3.5685 8.3678 116.5007 55.0953 36.6235 174.0196 113 F 4.1643 7.7516 111.8958 59.5524 36.9833 176.5262 114 H 4.7285 8.1300 117.3170 57.7972 30.1253 175.9107 115 D 4.6796 8.2498 118.7242 53.6875 42.3199 175.3524 116 W 5.7053 8.4179 119.1063 55.3118 32.3945 174.8284 117 N 5.2638 9.2141 120.2761 51.8130 42.4603 172.8403 118 N 5.2631 8.7600 122.4313 52.5233 38.7210 173.9928 119 I 4.6015 9.2386 116.1668 58.7246 42.4308 173.6009 120 N 4.7535 8.6186 119.5915 53.2922 38.9955 175.8999 121 C 4.0888 9.0502 124.2183 60.0351 40.4009 175.4451 122 E 4.2016 8.4104 116.9337 57.4881 29.7326 176.6351 123 D 4.6522 8.3657 119.7208 54.3319 42.3713 175.0877 124 L 5.0784 7.9192 120.6713 53.6099 43.2649 175.5794 125 Y 4.8696 8.8101 120.4678 55.6139 43.2334 172.8605 126 P 4.8123 0.0000 0.0000 63.1569 33.4659 174.2345 127 F 5.0562 8.1180 114.0134 56.3028 41.7882 172.7905 128 V 4.8461 8.4337 116.8737 61.5125 34.4782 173.9484 129 C 5.5988 9.0708 124.7194 55.7528 38.8732 172.5715 130 K 5.3890 9.2037 121.2821 55.4855 35.7211 174.7140 131 F 5.2223 8.5864 119.7810 55.6803 41.7779 172.8372 132 S 4.4209 8.7426 114.7929 57.4194 63.2174 173.8089 133 A 4.1913 7.8181 128.8239 52.4647 18.3078 176.9635 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 D 8.36 4.68 0.00 2.69 2.73 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 4 C 8.22 4.91 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.68 0.00 2.19 2.14 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 6 S 8.12 3.70 0.00 4.28 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.08 4.95 0.00 2.79 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 8 W 8.70 4.50 0.00 3.37 3.36 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 9 T 9.42 4.86 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 10 A 8.67 5.12 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 11 Y 9.28 3.92 0.00 1.43 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 0.00 0.00 0.00 12 D 8.72 3.91 0.00 1.86 2.48 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 13 Q 7.84 3.64 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 14 H 8.48 4.83 0.00 3.21 2.86 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.38 5.61 0.00 1.31 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 16 Y 9.68 5.75 0.00 3.10 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 17 L 8.50 4.52 0.00 0.27 0.13 0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.33 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.63 3.94 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.37 0.04 0.00 0.00 20 G 8.67 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 0.00 0.00 0.00 21 E 7.76 3.97 0.00 1.83 1.87 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 2.25 2.21 0.00 22 P 0.00 4.75 0.00 1.99 1.96 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 23 Q 9.08 4.79 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 24 N 9.38 5.91 0.00 3.15 3.19 0.00 0.00 6.52 8.64 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 25 W 8.21 2.54 0.00 1.78 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 0.00 0.00 0.00 26 Y 7.28 4.18 0.00 3.17 3.01 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 27 E 9.04 3.95 0.00 2.00 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 2.50 0.00 28 A 7.51 2.79 0.14 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 0.00 0.00 29 E 7.21 3.41 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 30 R 7.84 3.81 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 31 F 8.36 4.04 0.00 3.30 3.22 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 32 C 8.72 4.65 0.00 3.22 3.40 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 33 T 7.77 3.96 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 1.28 0.00 0.00 34 E 7.97 4.15 0.00 1.85 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 2.51 0.00 35 Q 8.09 4.18 0.00 1.82 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 36 A 6.85 4.06 0.64 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 37 K 7.62 3.86 0.00 1.41 1.35 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.32 7.81 38 D 8.65 4.37 0.00 2.86 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 39 G 7.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.85 5.11 0.00 3.14 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.83 4.64 0.00 1.41 1.62 -0.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.90 3.98 2.27 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 0.93 0.00 0.00 1.19 0.00 0.00 43 S 8.73 4.94 0.00 4.01 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 44 I 8.28 4.65 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 1.26 0.00 0.00 45 Q 9.18 4.72 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 46 S 7.59 4.68 0.00 4.18 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 47 R 8.51 3.94 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 48 E 8.18 4.03 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 49 E 8.39 3.58 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 50 G 8.29 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 51 N 8.36 4.42 0.00 2.96 2.93 0.00 0.00 6.64 7.55 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 52 F 8.07 3.95 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 2.98 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 0.89 0.00 0.00 0.96 0.00 0.00 54 A 7.86 3.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.95 3.90 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 56 L 7.33 3.65 0.00 0.81 1.36 0.69 1.12 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 57 V 7.14 3.56 1.62 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 0.57 0.00 0.00 0.82 0.00 0.00 58 S 7.68 4.24 0.00 4.04 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 59 G 7.69 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 0.00 0.00 0.00 60 F 8.04 4.97 0.00 3.04 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 0.00 0.00 0.00 61 M 8.08 4.21 0.00 1.91 2.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.79 0.00 62 H 7.88 4.49 0.00 3.15 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.11 4.34 0.00 1.89 1.95 0.00 2.95 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 64 S 8.38 4.21 0.00 3.94 3.96 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 65 E 8.09 4.05 0.00 1.89 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 2.34 2.39 0.00 66 I 8.26 3.88 1.16 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.67 0.00 0.00 67 Y 7.17 5.89 0.00 1.43 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 0.00 0.00 0.00 68 V 7.91 4.33 1.80 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 0.97 0.00 0.00 0.18 0.00 0.00 69 W 8.94 5.11 0.00 3.36 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 70 I 8.83 4.78 1.81 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.81 0.00 0.00 71 G 8.98 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.82 0.00 1.63 1.41 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.16 4.60 0.00 1.27 0.73 0.00 2.33 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.19 0.00 74 D 8.33 4.69 0.00 2.61 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 75 R 8.64 4.12 0.00 1.80 1.91 0.00 3.25 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 76 R 7.89 4.14 0.00 2.05 1.96 0.00 3.25 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 77 E 8.52 4.07 0.00 1.94 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 2.29 2.31 0.00 78 E 7.88 4.21 0.00 1.97 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 2.32 2.40 0.00 79 Q 8.55 4.28 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 80 Q 7.47 4.46 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 81 C 8.38 4.33 0.00 2.94 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 82 N 8.08 4.25 0.00 2.63 2.68 0.00 0.00 6.99 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 83 P 0.00 4.46 0.00 2.26 2.28 0.00 3.67 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 2.07 1.98 0.00 84 E 8.15 5.18 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 85 W 9.18 4.45 0.00 3.54 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 86 N 9.18 4.34 0.00 2.91 3.10 0.00 0.00 6.02 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 87 D 8.27 4.63 0.00 2.82 2.83 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 88 G 8.40 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 0.00 0.00 0.00 89 S 8.38 4.51 0.00 4.00 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 90 K 8.65 4.68 0.00 1.76 1.86 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.47 7.81 91 I 8.29 4.01 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.04 0.73 0.00 0.00 92 I 8.77 4.42 2.01 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 1.41 0.96 0.99 0.00 0.00 93 Y 8.00 4.21 0.00 2.95 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 94 V 7.20 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.88 0.00 0.00 95 N 7.16 4.71 0.00 2.27 2.47 0.00 0.00 7.06 7.95 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 96 W 7.37 4.49 0.00 3.32 3.05 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 97 K 8.73 4.28 0.00 1.90 1.79 0.00 1.80 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.49 7.81 98 E 8.61 4.16 0.00 2.16 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 2.33 2.31 0.00 99 G 9.05 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 0.00 0.00 0.00 100 E 8.08 4.12 0.00 2.28 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 2.39 2.54 0.00 101 S 7.71 3.90 0.00 3.76 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 0.00 102 K 8.10 4.42 0.00 1.58 1.66 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.40 7.81 103 M 8.25 4.50 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 104 C 7.83 5.08 0.00 2.63 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 0.00 0.00 0.00 0.00 105 Q 8.84 5.37 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 106 G 8.70 4.51 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 0.00 107 L 9.30 5.13 0.00 1.71 2.04 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.83 5.05 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 1.60 0.00 0.00 109 K 8.61 2.48 0.00 1.32 0.83 0.00 1.48 0.00 0.00 0.96 0.00 0.00 2.52 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.66 0.68 7.81 110 W 7.32 4.30 0.00 3.31 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 0.00 111 T 7.41 4.52 4.29 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 1.33 0.00 0.00 112 N 8.37 3.57 0.00 2.93 2.89 0.00 0.00 6.89 6.96 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 0.00 113 F 7.75 4.16 0.00 3.15 3.07 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 0.00 114 H 8.13 4.73 0.00 3.25 3.35 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 0.00 115 D 8.25 4.68 0.00 2.71 2.62 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 0.00 116 W 8.42 5.71 0.00 3.29 2.97 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 0.00 0.00 0.00 117 N 9.21 5.26 0.00 2.94 2.56 0.00 0.00 7.13 6.71 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 0.00 118 N 8.76 5.26 0.00 2.86 2.78 0.00 0.00 5.84 7.81 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 0.00 119 I 9.24 4.60 1.62 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 1.20 1.21 -0.06 0.00 0.00 120 N 8.62 4.75 0.00 3.05 2.89 0.00 0.00 7.68 7.65 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 0.00 121 C 9.05 4.09 0.00 3.02 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.41 4.20 0.00 2.22 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 0.00 2.48 2.46 0.00 123 D 8.37 4.65 0.00 3.19 2.62 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 0.00 124 L 7.92 5.08 0.00 1.33 1.52 0.89 0.84 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 0.00 125 Y 8.81 4.87 0.00 2.06 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.81 0.00 1.22 1.65 0.00 3.90 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 1.66 1.31 0.00 127 F 8.12 5.06 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.43 4.85 2.16 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 1.19 0.00 0.00 0.89 0.00 0.00 129 C 9.07 5.60 0.00 3.05 3.40 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 0.00 130 K 9.20 5.39 0.00 1.70 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 0.65 7.81 131 F 8.59 5.22 0.00 3.08 2.97 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 0.00 0.00 0.00 132 S 8.74 4.42 0.00 3.88 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 0.00 133 A 7.82 4.19 1.10 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 0.00 0.00