NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4161 8.2649 122.4698 52.0313 19.9051 176.1110 2 T 4.1842 8.5897 120.2894 63.1166 69.9951 172.8224 3 K 5.3187 8.9970 125.5008 54.8864 37.3118 174.5498 4 A 5.3937 9.2003 123.4575 50.9408 23.3960 175.2314 5 V 5.0886 8.8472 117.5054 60.9646 35.5403 173.3678 6 C 4.9608 9.1057 121.5135 58.1224 35.5172 172.5535 7 V 4.6183 8.4731 125.9250 61.4516 33.2945 174.0875 8 L 4.9213 8.9760 128.9834 53.7430 43.2674 176.0353 9 K 4.8408 9.1181 122.0078 55.5094 37.1153 176.3065 10 G 4.3974 7.9591 108.5657 45.2728 0.0000 171.9609 11 D 4.5397 8.8203 117.9857 55.7417 41.8922 177.1207 12 G 4.2730 7.6751 109.2519 44.3917 0.0000 171.8400 13 P 4.5071 0.0000 0.0000 63.0069 32.1345 176.0670 14 V 4.2083 7.5534 120.7407 63.0275 32.0212 174.9341 15 Q 4.7945 8.3122 124.7413 55.2354 32.5407 173.7186 16 G 4.3497 7.5921 106.3453 46.5759 0.0000 171.4303 17 I 5.1204 7.5982 119.3220 59.3713 40.7388 174.9709 18 I 4.5694 8.7638 127.6697 59.4718 40.0415 174.3897 19 N 5.1819 8.5570 124.3805 51.6138 41.1418 173.9727 20 F 5.3246 9.2136 120.4067 55.7579 42.9743 173.7453 21 E 5.1124 9.5732 123.6913 54.5649 33.5149 174.0631 22 Q 4.8260 9.3449 127.3016 54.3211 31.2245 175.6400 23 K 4.0720 9.0326 127.0872 58.6910 32.6193 177.7686 24 E 4.7734 7.8024 116.8744 53.8646 33.0103 175.4756 25 S 4.3895 8.5808 116.8776 59.4672 63.5943 174.1032 26 N 4.0944 8.7911 117.0137 53.9603 36.4870 174.5806 27 G 4.0037 7.8552 107.7990 43.4321 0.0000 171.7908 28 P 4.6214 0.0000 0.0000 62.6606 32.2893 176.3749 29 V 4.5610 8.8697 122.8551 61.2811 33.5678 174.5354 30 K 4.8000 9.2734 130.2016 55.6960 33.9266 175.3544 31 V 4.7557 9.0577 127.3424 60.8385 34.2771 174.1445 32 W 5.8381 7.6521 123.7348 55.5678 32.0511 175.2711 33 G 3.7484 7.5991 106.4372 45.4583 0.0000 170.2422 34 S 5.1413 7.7667 112.9661 56.4823 65.9126 173.5997 35 I 4.9701 8.7910 127.6754 59.3196 40.1811 174.8763 36 K 4.7997 9.2472 125.7111 55.6043 36.0966 176.9793 37 G 3.7654 8.8699 106.3359 45.6660 0.0000 173.4264 38 L 4.4959 7.6209 119.8402 52.9592 43.1448 176.4536 39 T 4.2630 8.1440 111.1487 61.0521 69.5245 174.0724 40 E 4.1316 8.6360 124.6421 57.4968 30.5031 175.1947 41 G 3.8150 8.4168 110.7591 44.0816 0.0000 172.3176 42 L 4.8607 8.2286 119.5069 54.6351 43.0644 176.4626 43 H 5.0221 9.1766 119.1944 53.7871 33.1137 173.4427 44 G 4.0750 9.1052 110.8744 46.8122 0.0000 172.6770 45 F 5.3638 8.9339 124.6723 57.3151 42.3362 172.8455 46 H 5.1253 8.9085 122.8756 54.0690 33.7581 172.7575 47 V 4.4068 8.6096 121.8113 62.5331 32.7489 175.0540 48 H 5.0604 9.4087 125.4430 54.3991 30.6516 175.8802 49 E 3.6985 9.0017 122.4716 58.7558 29.8739 177.1144 50 F 4.9962 8.2572 118.2322 54.8581 41.7479 176.8158 51 G 4.2156 8.4078 112.0396 44.5805 0.0000 174.2254 52 D 4.7234 7.9779 118.5169 52.6761 42.2261 174.2157 53 N 5.1946 8.7658 124.0733 52.6716 39.2167 175.6461 54 T 3.9673 8.4682 109.6702 63.3998 69.2842 174.5143 55 A 4.7016 8.0288 125.7372 51.4043 19.9953 176.6645 56 G 3.7608 7.9864 110.3908 47.8125 0.0000 176.9151 57 C 4.4312 8.6015 116.1060 59.4993 39.2148 175.8885 58 T 3.8310 7.6085 116.1923 66.1958 67.6826 175.6466 59 S 4.4922 7.8594 112.7405 58.9423 63.7270 175.2478 60 A 4.5273 7.5295 126.5329 53.9087 18.2669 178.7553 61 G 4.0283 7.8870 105.2825 43.9973 0.0000 170.6234 62 P 4.7310 0.0000 0.0000 61.9293 33.9897 175.0975 63 H 4.5072 8.3907 116.2238 55.7252 29.6026 175.6096 64 F 4.3000 9.1087 125.2345 58.0020 40.1900 175.3098 65 N 5.0635 7.9206 125.7104 51.7860 38.9962 173.0522 66 P 4.2449 0.0000 0.0000 64.8283 32.1239 177.8284 67 L 4.3788 7.6383 117.1721 53.5972 42.1806 176.2371 68 S 3.5985 7.5370 113.9355 59.6488 60.7313 171.7432 69 R 4.4706 8.0250 117.5820 54.5208 32.0048 176.7878 70 K 4.3857 8.9176 118.9754 55.9809 33.6285 176.4752 71 H 3.9878 8.6936 122.9589 56.8056 30.4506 174.9237 72 G 4.1277 7.4540 109.9349 45.4913 0.0000 172.1373 73 G 4.1470 8.9834 109.3015 43.3779 0.0000 173.3577 74 P 4.3729 0.0000 0.0000 65.3306 31.2937 177.7921 75 K 4.1835 7.9311 116.4013 57.6964 32.4421 176.6964 76 D 4.6964 7.7549 119.1524 53.2350 41.8059 176.3494 77 E 3.8871 8.6994 123.2173 58.9036 29.8280 176.5228 78 E 4.2504 7.9720 121.6474 55.4092 28.8114 174.7449 79 R 4.7139 7.5867 120.0421 55.9031 32.2635 174.6005 80 H 4.5933 8.9613 116.6937 55.3139 29.4281 177.0654 81 V 3.4378 8.2352 122.2403 66.3453 31.3816 177.2215 82 G 3.8773 8.2803 104.4996 47.2090 0.0000 173.4454 83 D 4.9827 8.1864 121.4980 53.4984 40.0688 175.8520 84 L 4.4798 8.5191 121.5358 53.1299 42.5474 178.5745 85 G 3.9956 8.4133 108.5508 46.7717 0.0000 173.8493 86 N 5.6673 8.7057 121.1428 51.4267 41.5544 173.7687 87 V 4.4408 8.6916 113.9705 59.8638 35.6633 174.6955 88 T 5.0257 8.2568 118.6780 61.8585 71.1648 173.1079 89 A 4.8146 8.9569 129.1286 50.7557 21.1209 177.2564 90 D 4.9459 8.8016 121.9545 52.0077 41.3449 177.1384 91 K 4.1413 8.5241 117.1909 59.4632 32.5160 177.0989 92 D 4.5812 8.3902 118.4284 53.9920 41.2476 177.0282 93 G 4.1669 8.5733 108.4268 44.5897 0.0000 172.5904 94 V 4.8182 7.8828 119.2526 60.7542 33.9304 174.1580 95 A 5.1454 8.9756 130.2625 49.9993 20.6607 175.5387 96 D 4.9949 8.5761 123.7145 53.1745 40.3530 175.9182 97 V 3.6022 8.5716 123.4555 62.9310 33.0697 174.9794 98 S 4.5741 8.4037 122.5652 57.7176 64.0228 172.7871 99 I 4.8164 9.2192 128.2071 59.2805 41.4066 174.1950 100 E 5.2221 8.8359 125.4203 54.5383 32.3679 174.4188 101 D 4.8290 9.2620 125.4764 52.8824 44.9607 175.5415 102 S 4.6847 8.9179 119.7794 58.5137 63.6755 174.6815 103 V 4.0995 7.9820 120.8851 64.4418 32.2350 176.4736 104 I 4.0352 7.9025 111.5464 61.1818 38.1469 174.5125 105 S 4.6523 8.4506 114.8009 57.5661 65.5090 174.1240 106 L 4.4581 8.8894 121.8785 54.2343 41.5563 176.2587 107 S 4.4740 7.9081 112.6128 57.9799 66.4465 174.9430 108 G 3.8946 8.5211 108.5854 44.9844 0.0000 173.7186 109 D 4.4699 8.7247 117.2872 57.2567 41.0521 176.8874 110 H 5.0208 8.1316 114.8393 55.4636 28.9760 174.0282 111 C 4.3348 7.9894 121.3213 59.8249 31.7740 173.5264 112 I 3.9026 8.1855 119.1211 60.8888 38.2404 175.8889 113 T 3.8956 7.4082 118.6712 64.9874 68.8739 174.6889 114 G 3.8277 9.4123 113.9337 45.3414 0.0000 172.9217 115 R 4.9981 7.4433 118.9310 54.7129 33.9721 174.4094 116 T 4.9977 7.9699 115.2184 62.0715 71.3585 173.6634 117 L 4.7271 8.6242 128.6841 54.1820 43.9425 175.4105 118 V 4.9605 8.7657 125.8254 60.9651 35.0708 174.1985 119 V 5.1186 8.5768 126.7639 60.4688 33.7655 174.6854 120 H 5.2921 8.9068 121.1415 54.0180 30.7279 174.5445 121 E 4.2093 9.1559 121.8865 59.0878 30.0190 176.5203 122 K 4.8334 8.4133 116.5632 53.7694 36.9857 175.7658 123 A 4.3594 8.3768 123.4980 52.3006 18.8354 176.3643 124 D 4.7608 9.2697 123.0087 54.0352 41.4273 176.0157 125 D 4.5848 9.3445 125.5509 53.1463 39.9043 176.7520 126 L 3.4412 9.7746 119.6437 56.1767 39.5936 175.9805 127 G 4.0533 8.5906 104.7641 45.9729 0.0000 174.8325 128 K 4.4838 8.1117 116.9196 56.0292 32.1302 177.3891 129 G 3.7507 7.9174 108.4473 44.8054 0.0000 176.0949 130 G 3.9807 8.3239 107.5433 45.5255 0.0000 172.4280 131 N 5.1305 7.2651 115.6619 49.8661 40.4559 174.9900 132 E 4.0771 8.7007 117.5227 59.5737 29.3565 179.1606 133 E 3.9087 8.1685 118.8458 59.3260 29.5217 178.6072 134 S 4.1625 8.5755 113.7199 61.2068 62.3649 175.2868 135 T 4.4335 7.6734 110.3821 61.9160 68.5722 175.5461 136 K 4.2780 7.6883 120.0784 57.9963 34.0278 176.8634 137 T 4.0979 7.9347 104.9195 60.0291 70.2849 174.9069 138 G 3.8212 7.9358 110.7525 45.1684 0.0000 173.4244 139 N 4.2531 7.7588 113.9488 54.2332 36.6341 174.8237 140 A 4.4876 7.4672 118.0404 51.3457 19.4172 179.8857 141 G 4.1510 7.9086 105.0316 44.8216 0.0000 173.4904 142 S 4.4474 8.8622 114.6456 58.3408 64.8943 174.0115 143 R 4.3699 8.3442 119.7154 55.2793 29.8111 176.5711 144 L 4.3145 8.9364 126.0051 57.3991 43.0832 177.1214 145 A 5.0580 7.7419 117.7973 51.4706 22.7670 173.9616 146 C 5.5103 8.5421 113.5158 55.8585 47.0511 172.7110 147 G 4.6953 8.0588 103.8269 46.1554 0.0000 172.5601 148 V 4.4233 8.2746 121.2177 62.2858 32.7463 175.4871 149 I 4.1599 8.8828 129.6863 60.9344 38.0960 175.3574 150 G 4.4241 9.0242 114.3326 43.8699 0.0000 172.1793 151 I 4.2814 8.2952 121.3662 61.1730 37.6898 175.3628 152 A 4.9592 8.7743 127.8813 49.9277 22.6305 176.1256 153 Q 4.1723 8.4386 115.6082 56.4839 28.8682 175.5702 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 A 8.26 4.42 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 2 T 8.59 4.18 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 1.22 0.00 0.00 3 K 9.00 5.32 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.63 7.81 4 A 9.20 5.39 1.14 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 5 V 8.85 5.09 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 0.98 0.00 0.00 6 C 9.11 4.96 0.00 3.16 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 7 V 8.47 4.62 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.98 4.92 0.00 1.69 1.58 1.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.12 4.84 0.00 1.64 1.62 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 7.96 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 0.00 0.00 0.00 0.00 11 D 8.82 4.54 0.00 2.68 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 12 G 7.68 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 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 14 V 7.55 4.21 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 0.79 0.00 0.00 0.94 0.00 0.00 15 Q 8.31 4.79 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 16 G 7.59 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 0.00 0.00 0.00 0.00 17 I 7.60 5.12 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.14 0.76 0.00 0.00 18 I 8.76 4.57 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 0.44 0.00 0.00 19 N 8.56 5.18 0.00 1.56 2.44 0.00 0.00 6.39 8.73 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 20 F 9.21 5.32 0.00 2.95 2.94 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 21 E 9.57 5.11 0.00 2.15 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 2.27 2.32 0.00 22 Q 9.34 4.83 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 23 K 9.03 4.07 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.80 4.77 0.00 1.99 1.79 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 2.29 2.27 0.00 25 S 8.58 4.39 0.00 3.99 3.88 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 26 N 8.79 4.09 0.00 2.90 2.96 0.00 0.00 6.89 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 27 G 7.86 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 28 P 0.00 4.62 0.00 1.99 2.04 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 8.87 4.56 2.22 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 1.25 0.00 0.00 1.08 0.00 0.00 30 K 9.27 4.80 0.00 1.91 1.78 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.60 1.45 7.81 31 V 9.06 4.76 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 0.83 0.00 0.00 1.08 0.00 0.00 32 W 7.65 5.84 0.00 3.57 3.08 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 0.00 0.00 0.00 33 G 7.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.77 5.14 0.00 3.89 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 35 I 8.79 4.97 1.82 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 1.29 0.45 0.96 0.00 0.00 36 K 9.25 4.80 0.00 1.73 1.89 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.34 7.81 37 G 8.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.50 0.00 1.83 1.45 0.83 0.28 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 39 T 8.14 4.26 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 1.24 0.00 0.00 40 E 8.64 4.13 0.00 1.96 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 2.30 2.48 0.00 41 G 8.42 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 42 L 8.23 4.86 0.00 1.50 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.18 5.02 0.00 3.02 3.31 0.00 5.62 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 44 G 9.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.93 5.36 0.00 3.01 3.03 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 0.00 0.00 0.00 46 H 8.91 5.13 0.00 3.11 2.90 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.61 4.41 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 0.90 0.00 0.00 0.89 0.00 0.00 48 H 9.41 5.06 0.00 3.07 3.43 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.00 3.70 0.00 1.60 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 1.47 2.05 0.00 50 F 8.26 5.00 0.00 3.10 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 51 G 8.41 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 52 D 7.98 4.72 0.00 2.62 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 53 N 8.77 5.19 0.00 2.69 2.74 0.00 0.00 7.37 7.70 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 54 T 8.47 3.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 55 A 8.03 4.70 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 56 G 7.99 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 57 C 8.60 4.43 0.00 2.98 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 58 T 7.61 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 S 7.86 4.49 0.00 4.12 3.97 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 60 A 7.53 4.53 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 61 G 7.89 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.73 0.00 2.04 2.21 0.00 3.62 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 1.96 1.98 0.00 63 H 8.39 4.51 0.00 2.78 3.17 0.00 5.72 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 64 F 9.11 4.30 0.00 2.90 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 65 N 7.92 5.06 0.00 2.60 2.45 0.00 0.00 6.94 7.71 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 66 P 0.00 4.24 0.00 2.09 2.01 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 67 L 7.64 4.38 0.00 1.55 1.67 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.54 3.60 0.00 3.96 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 69 R 8.02 4.47 0.00 1.89 1.97 0.00 3.60 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 70 K 8.92 4.39 0.00 1.64 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 71 H 8.69 3.99 0.00 3.16 3.26 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.45 4.13 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 0.00 73 G 8.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.37 0.00 2.23 2.37 0.00 3.79 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 2.02 2.14 0.00 75 K 7.93 4.18 0.00 1.77 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 7.75 4.70 0.00 2.82 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 77 E 8.70 3.89 0.00 1.92 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 2.27 2.28 0.00 78 E 7.97 4.25 0.00 2.06 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 2.31 2.30 0.00 79 R 7.59 4.71 0.00 1.95 1.88 0.00 2.85 0.00 0.00 2.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 80 H 8.96 4.59 0.00 3.48 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.24 3.44 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 0.71 0.00 0.00 0.39 0.00 0.00 82 G 8.28 3.88 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 0.00 0.00 0.00 83 D 8.19 4.98 0.00 2.69 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 84 L 8.52 4.48 0.00 1.91 1.95 1.00 0.93 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 85 G 8.41 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 86 N 8.71 5.67 0.00 2.60 2.72 0.00 0.00 6.55 7.68 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 87 V 8.69 4.44 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.70 0.00 0.00 88 T 8.26 5.03 4.21 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 1.20 0.00 0.00 89 A 8.96 4.81 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 90 D 8.80 4.95 0.00 2.88 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.52 4.14 0.00 1.89 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.39 4.58 0.00 2.83 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 93 G 8.57 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 94 V 7.88 4.82 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 1.00 0.00 0.00 0.93 0.00 0.00 95 A 8.98 5.15 1.17 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 96 D 8.58 4.99 0.00 2.57 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 97 V 8.57 3.60 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 0.75 0.00 0.00 0.57 0.00 0.00 98 S 8.40 4.57 0.00 3.90 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 99 I 9.22 4.82 1.97 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 1.15 0.51 1.02 0.00 0.00 100 E 8.84 5.22 0.00 1.96 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 2.21 2.31 0.00 101 D 9.26 4.83 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.68 0.00 3.91 3.88 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 0.00 103 V 7.98 4.10 2.24 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 0.81 0.00 0.00 0.95 0.00 0.00 104 I 7.90 4.04 1.95 0.00 0.00 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 1.50 0.81 1.05 0.00 0.00 105 S 8.45 4.65 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.89 4.46 0.00 1.78 1.63 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.91 4.47 0.00 3.97 3.80 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 D 8.72 4.47 0.00 2.69 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 0.00 110 H 8.13 5.02 0.00 3.24 3.43 0.00 5.64 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 0.00 111 C 7.99 4.33 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.19 3.90 1.63 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.21 1.02 0.00 0.00 113 T 7.41 3.90 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 1.14 0.00 0.00 114 G 9.41 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 0.00 0.00 0.00 115 R 7.44 5.00 0.00 1.58 1.83 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.00 116 T 7.97 5.00 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 1.17 0.00 0.00 117 L 8.62 4.73 0.00 1.77 1.50 0.35 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.77 4.96 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 0.71 0.00 0.00 0.72 0.00 0.00 119 V 8.58 5.12 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 0.72 0.00 0.00 1.02 0.00 0.00 120 H 8.91 5.29 0.00 3.32 3.57 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.16 4.21 0.00 2.12 2.23 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 2.37 2.35 0.00 122 K 8.41 4.83 0.00 1.80 1.67 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 A 8.38 4.36 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 0.00 124 D 9.27 4.76 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.34 4.58 0.00 2.91 2.90 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 0.00 126 L 9.77 3.44 0.00 1.86 1.79 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.59 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.11 4.48 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 129 G 7.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.32 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 0.00 131 N 7.27 5.13 0.00 2.71 2.78 0.00 0.00 6.88 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 0.00 132 E 8.70 4.08 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 2.40 2.43 0.00 133 E 8.17 3.91 0.00 2.07 2.17 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 2.46 2.41 0.00 134 S 8.58 4.16 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.67 4.43 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 1.25 0.00 0.00 136 K 7.69 4.28 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.63 7.81 137 T 7.93 4.10 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 1.22 0.00 0.00 138 G 7.94 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 0.00 139 N 7.76 4.25 0.00 2.92 2.92 0.00 0.00 6.85 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 0.00 140 A 7.47 4.49 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 0.00 141 G 7.91 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.86 4.45 0.00 3.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.34 4.37 0.00 1.68 1.85 0.00 3.19 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 144 L 8.94 4.31 0.00 1.69 1.70 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.74 5.06 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 0.00 146 C 8.54 5.51 0.00 3.00 3.11 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 0.00 0.00 0.00 147 G 8.06 4.70 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 0.00 0.00 0.00 148 V 8.27 4.42 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 0.76 0.00 0.00 0.94 0.00 0.00 149 I 8.88 4.16 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.37 0.00 0.00 150 G 9.02 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 0.00 0.00 0.00 0.00 151 I 8.30 4.28 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.77 4.96 1.22 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 0.00 153 Q 8.44 4.17 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00