NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 M 4.2255 8.1627 120.5576 55.2468 33.9879 173.5905 30 E 4.6123 8.6019 125.9979 54.9452 30.7221 173.7311 31 L 4.8117 10.0223 128.1403 53.2945 45.9727 175.0641 32 T 4.7939 8.2235 118.5952 62.1835 70.3902 175.0852 33 L 4.7899 8.9870 128.1984 53.3581 43.3256 177.2688 34 Y 4.1576 8.8285 117.2743 60.0805 37.5837 176.8893 35 N 4.2696 7.0157 115.1947 52.0239 37.3881 176.0160 36 G 3.9007 8.1473 108.1035 45.6992 0.0000 174.4038 37 E 4.1460 7.8458 117.7674 55.9527 30.4907 175.6337 38 K 5.0978 8.1616 119.3720 54.9355 34.6702 175.6308 39 K 4.4673 8.9285 123.7692 55.4083 36.0656 174.6085 40 T 4.9707 8.1264 123.0958 62.1968 70.1417 173.9516 41 F 4.7984 9.0400 124.5177 55.8926 41.6848 174.6647 42 Y 4.9416 8.9560 121.8932 56.9157 38.9221 175.8634 43 S 4.5423 8.9034 119.8642 59.1225 63.7908 173.8679 44 R 4.7232 8.7159 121.9790 53.6186 32.9984 173.9058 45 P 4.6327 0.0000 0.0000 62.1629 32.6945 175.9188 46 N 4.9498 8.5202 118.9138 51.6627 38.7020 173.2957 47 N 4.8164 8.3350 116.8783 52.9159 40.3566 174.5706 48 H 4.9208 8.4739 115.9903 56.6423 29.9641 172.6032 49 D 4.4910 8.1778 112.9623 55.8525 39.8688 172.6469 50 N 4.7100 8.6087 110.5373 52.2859 38.2713 176.9254 51 A 4.2459 8.5381 125.1585 55.1908 18.3858 179.9076 52 W 4.1205 8.1515 114.8608 59.8015 28.0922 178.2548 53 L 3.0864 5.6200 120.6987 57.2422 41.3437 178.3454 54 N 4.0991 8.0739 116.6832 56.1630 38.3396 177.2041 55 A 4.0688 8.0834 122.2791 55.0959 18.4826 179.7749 56 I 3.4015 7.4212 117.7528 64.3958 37.1750 178.4041 57 L 3.9615 7.8544 120.1173 58.2484 41.4208 179.8559 58 Q 4.0900 8.4545 118.1125 58.6023 28.5499 178.4489 59 L 3.7652 7.9036 121.6243 58.2366 42.1906 179.1145 60 F 4.5468 8.7622 118.1077 60.5272 38.9183 177.6656 61 R 3.5489 8.1187 118.4864 59.3307 29.5867 177.7552 62 Y 4.1805 8.1581 118.4556 60.7852 38.9459 177.9022 63 V 4.1379 7.9782 109.3881 60.3796 32.1611 175.6526 64 E 3.6118 7.7993 116.8700 57.2392 27.1438 174.1839 65 E 4.0819 8.4962 120.6458 54.9303 30.1472 174.3759 66 P 4.8975 0.0000 0.0000 62.7981 32.1581 177.5000 67 F 3.9598 8.2510 122.3075 61.2401 39.2884 176.0971 68 F 4.8411 8.2065 116.6675 57.2368 39.4555 176.7651 69 D 4.5374 8.3728 124.6293 57.6686 40.3590 179.0331 70 W 4.3210 8.3753 115.0109 58.9812 28.1918 177.6179 71 V 3.5910 7.3755 119.4125 64.7025 31.0358 177.0530 72 Y 3.8535 7.8870 118.3154 60.5890 38.6816 176.7545 73 S 4.7279 7.9804 112.4477 58.2458 63.1142 174.3797 74 S 4.3930 7.4742 115.7673 57.5379 62.6437 172.6703 75 P 4.3395 0.0000 0.0000 64.3124 31.4904 176.5562 76 E 4.4752 7.6515 115.1379 54.1996 31.4736 175.6978 77 N 4.4745 8.3929 118.7060 53.3193 38.0904 174.3284 78 L 4.5792 8.1154 125.9345 55.0490 42.3550 178.5964 79 T 3.6273 7.7922 118.4905 66.9690 68.2873 176.0927 80 L 3.9153 7.7646 120.0625 57.8529 41.6917 179.3041 81 E 4.0996 8.2304 117.6564 58.9566 29.4556 178.9670 82 A 4.3294 7.9946 121.2785 54.9682 18.4172 179.6631 83 I 3.8448 7.8832 118.4250 64.5253 37.1451 178.8486 84 K 4.0962 8.5146 119.7107 59.5160 31.9403 179.2437 85 Q 4.1435 8.2562 119.4938 59.2084 28.9984 178.2755 86 L 4.2883 8.5256 120.2143 57.8265 41.7106 179.1946 87 E 4.2614 8.5214 120.0551 59.1785 29.2543 179.2808 88 D 4.5929 8.0687 117.4337 57.0952 40.9257 178.2628 89 L 4.3998 7.8956 118.3319 56.1207 42.0315 178.0128 90 T 4.5894 8.0786 107.3862 60.3402 70.1341 175.2812 91 G 3.9196 8.4674 109.5418 45.8557 0.0000 173.4684 92 L 4.4201 7.6391 119.8182 53.0489 43.0846 175.6164 93 E 4.5176 8.5067 122.2694 55.8618 29.5284 176.0767 94 L 4.8822 9.5753 127.0511 54.0981 42.3906 177.3916 95 H 4.6527 9.0264 117.0580 56.9645 29.4405 175.3069 96 E 4.7225 8.1107 118.5008 55.8205 29.8621 174.1990 97 G 3.9232 8.5414 104.7306 44.5057 0.0000 172.7597 98 G 2.5594 7.1403 105.6569 42.7576 0.0000 172.3243 99 P 4.5787 0.0000 0.0000 60.4163 32.2202 174.3592 100 P 4.4347 0.0000 0.0000 66.1697 31.0135 178.0676 101 A 4.0470 7.9911 120.0253 54.8491 18.3735 179.4708 102 L 4.0756 7.8705 117.0486 57.6817 41.9231 179.7208 103 V 3.6991 7.9549 118.4428 66.0280 31.3045 178.1781 104 I 3.8431 7.8168 118.4473 64.1150 37.1436 177.7383 105 W 4.4357 8.6648 129.5681 60.8731 30.3036 177.7748 106 N 4.4686 8.7314 115.5002 55.2618 38.1718 176.4057 107 I 4.2303 7.2803 112.4131 60.4448 38.0991 177.3867 108 K 3.9131 7.6240 123.5665 60.5619 31.8485 178.2892 109 H 4.2396 7.9880 113.6567 57.2466 28.7971 175.6650 110 L 4.2857 7.6687 119.0993 54.5089 41.8247 176.1470 111 L 4.5857 7.0007 118.7208 53.8730 43.3106 175.6971 112 H 4.8001 9.1430 115.2691 55.8191 29.1161 174.7191 113 T 4.5526 7.5574 115.3374 61.2050 71.7452 174.1302 114 G 4.0155 8.5618 113.5315 45.9527 0.0000 172.0516 115 I 5.0201 8.3657 125.2622 59.5320 39.5643 174.8216 116 G 4.4140 9.3933 117.4029 45.5752 0.0000 170.7518 117 T 5.5422 8.7411 110.9662 58.3770 72.3685 175.3480 118 A 4.3098 8.8477 123.2710 55.5910 18.2436 179.4973 119 S 4.3249 8.5966 110.7185 60.8613 63.5002 174.8975 120 R 4.6261 8.2815 119.7709 52.9787 29.9947 172.9868 121 P 4.7750 0.0000 0.0000 62.1603 32.7847 176.2461 122 S 4.5211 7.9817 113.1672 57.3001 65.1665 173.1472 123 E 4.0642 9.0477 119.2113 58.8966 30.0534 178.4592 124 V 4.6012 8.0821 118.6155 61.0824 34.9284 174.2822 125 C 5.0246 8.5500 124.3951 57.7918 31.8605 173.4079 126 V 4.3595 8.6823 123.4235 61.9867 32.8141 175.9312 127 V 4.4499 8.1464 120.1218 61.0696 32.5025 176.0343 128 D 4.5574 8.4553 118.9211 53.5217 40.1609 176.4826 129 G 3.9891 8.4940 109.1214 45.9738 0.0000 174.8020 130 T 3.9754 7.6166 116.1808 63.5436 68.9694 173.6567 131 D 4.5126 8.5568 125.0402 54.4243 41.4141 175.9164 132 M 4.7444 8.4033 123.5030 53.5448 34.5881 175.1748 133 S 4.6552 8.6341 115.3140 56.0107 65.6211 175.3020 134 L 2.9801 8.0922 124.9202 57.2528 41.4937 179.1750 135 A 4.1873 7.5637 120.3725 54.2547 18.4520 178.0096 136 D 4.6150 7.7554 115.9129 55.7267 41.2635 175.8964 137 F 4.9638 7.1986 112.7166 56.1304 40.8727 173.6625 138 H 4.5350 7.9095 115.0567 55.1368 29.2681 173.4239 139 A 4.7539 6.9749 120.4066 51.5151 22.4456 175.3067 140 G 3.7332 7.9660 106.0905 46.3081 0.0000 171.8937 141 I 5.0675 7.7845 120.8968 59.5569 39.3220 175.5426 142 F 5.1732 9.2892 124.6656 55.6967 43.3612 174.2847 143 L 4.6523 8.8077 125.1989 53.2875 41.7817 175.5411 144 K 4.1415 8.9273 127.8659 57.0526 33.5297 176.9663 145 G 3.8525 8.7006 114.7892 47.2015 0.0000 174.2268 146 Q 4.7194 8.5609 116.7396 55.2864 28.8526 176.3157 147 E 4.8028 7.7353 115.9474 57.7259 36.2687 173.9712 148 H 5.1881 7.7507 114.3374 52.1299 32.6263 171.8763 149 A 4.7064 8.6848 122.0228 52.5713 18.9262 177.1657 150 V 4.5032 9.0709 114.8314 59.6355 36.8335 174.2428 151 F 5.3909 8.7053 123.6627 57.2088 41.6334 174.3549 152 A 5.1246 8.0094 124.8731 51.0126 22.9867 174.8426 153 C 4.4812 8.6976 114.0459 56.3754 33.6796 173.4652 154 V 3.2446 7.4393 120.8655 63.1384 31.8370 175.0363 155 T 5.0477 8.1365 114.9365 60.0131 72.3140 174.5811 156 S 4.2124 8.7594 116.5846 60.0297 63.3479 174.8743 157 N 4.8586 8.2338 118.3451 52.8739 38.8426 175.7405 158 G 4.0723 8.2361 105.7092 44.2095 0.0000 173.3980 159 W 4.4048 8.6992 117.7346 57.5454 30.0847 175.3264 160 Y 5.1525 9.3704 121.1741 56.1800 41.5768 174.4165 161 A 5.0600 8.7949 124.6669 50.6287 21.8867 176.3482 162 I 3.9266 8.9257 122.0878 59.7073 39.6272 174.2158 163 D 4.3580 8.8303 128.8840 54.2746 42.1249 178.3366 164 D 4.3774 8.7657 128.7308 55.0006 39.2691 175.2689 165 E 4.4315 9.1822 130.8628 57.1951 31.5363 175.2066 166 D 5.1718 8.1517 119.6447 52.5293 42.9364 175.0023 167 F 5.3875 8.6784 120.6701 56.0362 41.8812 174.1144 168 Y 4.6244 7.8281 118.6394 55.1397 41.5136 171.9997 169 P 4.1608 0.0000 0.0000 62.6251 32.1971 175.9346 170 W 4.5365 8.9345 131.0182 57.1532 34.2593 173.6101 171 T 3.8945 8.1004 125.0497 61.2895 68.5942 173.4337 172 P 2.9700 0.0000 0.0000 61.3512 32.0063 175.3324 173 D 4.4511 7.8860 119.7603 52.1334 42.0124 175.5497 174 P 4.5455 0.0000 0.0000 65.0386 31.5152 178.1588 175 S 4.2797 8.5180 113.5296 60.3646 63.2675 174.4896 176 D 4.8552 8.4334 121.4019 53.8625 40.9622 176.5659 177 V 3.7950 7.6018 119.5211 61.6576 32.2628 175.6092 178 L 4.6150 8.6568 121.6237 55.6696 44.8019 176.7616 179 V 4.9431 7.2425 116.9457 61.1401 35.3227 174.1176 180 F 4.9868 8.6698 121.0181 55.4736 42.1387 173.5440 181 V 4.7405 8.8365 120.4986 60.3069 32.5171 173.1960 182 P 5.4276 0.0000 0.0000 62.0710 32.2934 175.8839 183 Y 4.2712 8.5462 118.1453 57.7235 38.8839 175.9899 184 D 4.6280 8.8555 120.4230 54.9277 40.9622 176.5352 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 29 M 8.16 4.23 0.00 0.67 0.91 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 30 E 8.60 4.61 0.00 2.08 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 0.00 2.24 2.39 0.00 31 L 10.02 4.81 0.00 1.86 1.55 0.90 0.21 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 32 T 8.22 4.79 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 1.18 0.00 0.00 33 L 8.99 4.79 0.00 1.61 1.78 0.83 0.92 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 34 Y 8.83 4.16 0.00 3.23 3.15 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 35 N 7.02 4.27 0.00 2.45 1.73 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.15 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 0.00 0.00 0.00 37 E 7.85 4.15 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 38 K 8.16 5.10 0.00 1.60 1.84 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 39 K 8.93 4.47 0.00 1.64 1.54 0.00 1.23 0.00 0.00 1.19 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.44 1.03 7.81 40 T 8.13 4.97 4.01 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 1.22 0.00 0.00 41 F 9.04 4.80 0.00 3.37 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.96 4.94 0.00 2.55 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 43 S 8.90 4.54 0.00 3.86 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 44 R 8.72 4.72 0.00 1.48 1.74 0.00 2.75 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 45 P 0.00 4.63 0.00 2.02 2.00 0.00 3.20 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 46 N 8.52 4.95 0.00 2.68 2.70 0.00 0.00 6.90 7.79 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 47 N 8.34 4.82 0.00 2.53 2.58 0.00 0.00 6.98 8.16 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 48 H 8.47 4.92 0.00 3.13 3.29 0.00 6.00 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.18 4.49 0.00 2.78 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 50 N 8.61 4.71 0.00 2.39 2.98 0.00 0.00 6.93 7.72 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 51 A 8.54 4.25 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 52 W 8.15 4.12 0.00 3.68 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 53 L 5.62 3.09 0.00 0.27 0.70 0.22 0.11 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 54 N 8.07 4.10 0.00 2.71 2.73 0.00 0.00 6.91 7.53 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 55 A 8.08 4.07 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 56 I 7.42 3.40 1.75 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.09 0.00 0.00 57 L 7.85 3.96 0.00 1.82 1.93 0.64 0.65 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 58 Q 8.45 4.09 0.00 1.72 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 59 L 7.90 3.77 0.00 1.96 1.84 1.16 1.30 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 60 F 8.76 4.55 0.00 3.24 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 61 R 8.12 3.55 0.00 1.05 1.95 0.00 2.56 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.04 0.00 62 Y 8.16 4.18 0.00 3.18 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 63 V 7.98 4.14 2.33 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 1.13 0.00 0.00 1.13 0.00 0.00 64 E 7.80 3.61 0.00 2.11 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 2.11 2.14 0.00 65 E 8.50 4.08 0.00 1.55 1.67 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 1.47 1.47 0.00 66 P 0.00 4.90 0.00 2.23 2.34 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 67 F 8.25 3.96 0.00 2.94 2.95 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 68 F 8.21 4.84 0.00 3.26 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.37 4.54 0.00 2.86 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 70 W 8.38 4.32 0.00 3.59 3.21 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 71 V 7.38 3.59 1.63 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 0.56 0.00 0.00 -1.01 0.00 0.00 72 Y 7.89 3.85 0.00 3.07 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 73 S 7.98 4.73 0.00 4.05 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 74 S 7.47 4.39 0.00 4.02 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 75 P 0.00 4.34 0.00 2.07 2.07 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 76 E 7.65 4.48 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 77 N 8.39 4.47 0.00 2.67 2.80 0.00 0.00 7.00 7.78 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 78 L 8.12 4.58 0.00 1.58 1.70 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.79 3.63 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 1.16 0.00 0.00 80 L 7.76 3.92 0.00 1.65 1.70 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.23 4.10 0.00 2.41 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 2.50 2.47 0.00 82 A 7.99 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.88 3.84 2.00 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 1.73 0.67 0.88 0.00 0.00 84 K 8.51 4.10 0.00 1.90 1.96 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.79 7.81 85 Q 8.26 4.14 0.00 2.40 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 86 L 8.53 4.29 0.00 2.18 2.00 1.37 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.52 4.26 0.00 2.26 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 0.00 2.62 2.67 0.00 88 D 8.07 4.59 0.00 2.91 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 89 L 7.90 4.40 0.00 1.78 1.82 1.20 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.08 4.59 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 1.32 0.00 0.00 91 G 8.47 3.92 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 0.00 0.00 0.00 92 L 7.64 4.42 0.00 1.71 1.52 0.88 0.80 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 93 E 8.51 4.52 0.00 1.91 1.86 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 2.28 2.40 0.00 94 L 9.58 4.88 0.00 1.70 1.72 1.05 -0.09 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 95 H 9.03 4.65 0.00 3.35 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.11 4.72 0.00 1.91 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 2.25 2.34 0.00 97 G 8.54 3.92 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 0.00 0.00 0.00 98 G 7.14 2.56 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 99 P 0.00 4.58 0.00 2.22 2.14 0.00 3.35 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 100 P 0.00 4.43 0.00 2.37 2.74 0.00 3.75 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 101 A 7.99 4.05 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 0.00 102 L 7.87 4.08 0.00 1.82 1.76 0.88 0.76 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 0.00 103 V 7.95 3.70 2.41 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 1.32 0.00 0.00 0.93 0.00 0.00 104 I 7.82 3.84 2.16 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 1.62 0.84 1.07 0.00 0.00 105 W 8.66 4.44 0.00 3.45 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.73 4.47 0.00 3.01 2.94 0.00 0.00 6.96 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.28 4.23 1.43 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.68 0.91 0.00 0.00 108 K 7.62 3.91 0.00 1.75 2.08 0.00 0.75 0.00 0.00 0.81 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.14 7.81 109 H 7.99 4.24 0.00 3.21 3.35 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.67 4.29 0.00 1.22 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.00 4.59 0.00 1.44 1.47 0.78 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 H 9.14 4.80 0.00 2.99 3.25 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.56 4.55 4.11 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 1.26 0.00 0.00 114 G 8.56 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 0.00 115 I 8.37 5.02 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 1.06 0.00 0.00 116 G 9.39 4.41 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 0.00 117 T 8.74 5.54 4.34 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 1.15 0.00 0.00 118 A 8.85 4.31 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.32 0.00 3.95 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 0.00 120 R 8.28 4.63 0.00 1.85 1.86 0.00 3.18 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 121 P 0.00 4.77 0.00 2.11 2.08 0.00 3.74 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.35 0.00 122 S 7.98 4.52 0.00 3.79 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 0.00 123 E 9.05 4.06 0.00 2.04 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 0.00 2.36 2.38 0.00 124 V 8.08 4.60 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 0.79 0.00 0.00 1.00 0.00 0.00 125 C 8.55 5.02 0.00 1.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.68 4.36 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 0.77 0.00 0.00 1.08 0.00 0.00 127 V 8.15 4.45 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 0.91 0.00 0.00 0.99 0.00 0.00 128 D 8.46 4.56 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.49 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 0.00 130 T 7.62 3.98 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 131 D 8.56 4.51 0.00 2.65 2.59 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 0.00 132 M 8.40 4.74 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 133 S 8.63 4.66 0.00 3.67 3.63 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 0.00 134 L 8.09 2.98 0.00 1.49 1.45 0.08 0.40 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 0.00 135 A 7.56 4.19 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 0.00 136 D 7.76 4.62 0.00 2.48 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 0.00 137 F 7.20 4.96 0.00 3.20 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 0.00 138 H 7.91 4.54 0.00 3.06 2.58 0.00 5.50 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 6.97 4.75 0.54 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 0.00 0.00 140 G 7.97 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 0.00 141 I 7.78 5.07 1.80 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 1.39 0.82 1.00 0.00 0.00 142 F 9.29 5.17 0.00 3.26 3.14 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 0.00 143 L 8.81 4.65 0.00 1.70 1.69 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.93 4.14 0.00 1.35 1.67 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.00 7.81 145 G 8.70 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 0.00 146 Q 8.56 4.72 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 147 E 7.74 4.80 0.00 2.07 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 2.18 2.21 0.00 148 H 7.75 5.19 0.00 3.18 3.40 0.00 5.48 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 0.00 149 A 8.68 4.71 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 0.00 150 V 9.07 4.50 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 0.51 0.00 0.00 0.82 0.00 0.00 151 F 8.71 5.39 0.00 3.19 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 0.00 152 A 8.01 5.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 8.70 4.48 0.00 2.93 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.44 3.24 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 0.74 0.00 0.00 0.32 0.00 0.00 155 T 8.14 5.05 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 1.20 0.00 0.00 156 S 8.76 4.21 0.00 3.91 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 0.00 157 N 8.23 4.86 0.00 2.76 3.05 0.00 0.00 7.06 7.50 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 0.00 158 G 8.24 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 0.00 0.00 0.00 159 W 8.70 4.40 0.00 3.25 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 9.37 5.15 0.00 2.93 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 0.00 161 A 8.79 5.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.93 3.93 1.93 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.23 0.43 0.00 0.00 163 D 8.83 4.36 0.00 2.43 2.55 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 0.00 164 D 8.77 4.38 0.00 2.89 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 9.18 4.43 0.00 2.06 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 2.34 2.35 0.00 166 D 8.15 5.17 0.00 2.89 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 0.00 167 F 8.68 5.39 0.00 3.01 3.26 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 0.00 168 Y 7.83 4.62 0.00 2.96 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 0.00 169 P 0.00 4.16 0.00 1.97 2.06 0.00 3.69 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 170 W 8.93 4.54 0.00 3.34 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 0.00 171 T 8.10 3.89 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 0.79 0.00 0.00 172 P 0.00 2.97 0.00 0.64 0.49 0.00 2.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.46 0.00 173 D 7.89 4.45 0.00 2.60 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 0.00 174 P 0.00 4.55 0.00 2.41 2.22 0.00 3.61 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 2.00 1.83 0.00 175 S 8.52 4.28 0.00 3.99 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 0.00 176 D 8.43 4.86 0.00 2.91 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 0.00 177 V 7.60 3.79 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 0.66 0.00 0.00 -0.16 0.00 0.00 178 L 8.66 4.62 0.00 1.59 1.65 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.24 4.94 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 1.09 0.00 0.00 0.91 0.00 0.00 180 F 8.67 4.99 0.00 2.27 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 0.00 0.00 0.00 181 V 8.84 4.74 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 1.17 0.00 0.00 0.99 0.00 0.00 182 P 0.00 5.43 0.00 2.33 2.47 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 183 Y 8.55 4.27 0.00 2.96 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 0.00 184 D 8.86 4.63 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00