NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2211 8.3293 121.6980 55.7435 30.4675 175.3668 4 S 4.3321 8.2173 120.0708 57.7171 65.4151 174.7882 5 F 4.1256 9.9634 123.3327 60.6904 39.0477 179.4039 6 T 3.9001 8.3361 115.8888 66.6356 68.2510 176.5091 7 S 4.0589 8.0678 114.9812 61.3678 62.4366 176.1812 8 I 3.6096 7.7917 122.2201 64.3418 36.7903 178.2496 9 A 4.0194 8.5504 121.8294 55.0908 18.2325 179.4163 10 R 3.9399 8.2555 117.4980 59.8914 30.2582 178.8413 11 I 3.8525 7.8166 119.5146 64.2591 37.0182 178.7431 12 G 3.6329 8.6024 107.0429 47.8261 0.0000 175.4883 13 D 4.3572 8.9126 122.4375 57.2426 40.6630 177.9804 14 Y 4.1010 7.6207 118.1816 61.0583 38.8683 178.2795 15 I 3.7607 7.7935 119.9436 64.2898 37.0609 178.2633 16 L 3.9505 8.0050 119.9825 57.6240 41.9099 178.5274 17 K 4.3323 7.9586 117.6384 57.0265 32.4361 176.7640 18 S 4.2464 7.3185 114.9994 56.6578 62.4072 172.4824 19 P 4.1549 0.0000 0.0000 65.7019 30.6295 178.6403 20 V 3.5452 7.6435 116.2195 66.1338 31.5681 177.9615 21 L 4.0155 7.6184 118.4309 57.8156 41.1858 179.4028 22 S 4.1195 8.8173 113.8496 61.4312 62.0579 176.3716 23 K 4.1352 8.0523 120.0385 58.5105 31.8302 178.7901 24 L 4.1765 7.1893 118.9712 57.8232 42.5039 178.1621 25 C 4.2394 8.5627 116.7183 62.6346 28.4144 175.8657 26 V 3.5641 7.2503 118.4814 65.9301 30.9809 176.2383 27 P 4.2584 0.0000 0.0000 65.6533 31.1838 178.7353 28 V 3.6275 7.8052 116.3284 65.9064 31.3988 177.8039 29 A 4.0427 8.1622 120.6947 55.1018 18.2634 179.3200 30 N 4.2952 8.7047 115.4973 56.4669 38.6255 177.3398 31 Q 3.9470 8.2279 120.8708 59.1158 29.1107 177.9735 32 F 4.1600 8.4564 121.7089 61.6775 39.2205 177.2302 33 I 3.6561 7.9136 117.9233 64.3722 37.2369 177.9407 34 N 4.3377 8.1069 117.4095 56.1163 38.1471 177.5289 35 L 4.0179 7.8287 119.4521 57.3029 41.7124 178.7674 36 A 3.9167 7.4522 120.6093 53.5615 18.6322 178.8702 37 G 3.6302 7.4581 102.4128 46.1534 0.0000 174.9685 38 Y 4.1308 7.2484 119.5586 59.8401 37.9331 178.3104 39 K 4.1416 7.1525 119.8165 59.0472 32.2548 178.9564 40 K 2.4830 7.3559 117.7315 57.6618 31.5829 178.2234 41 L 4.4784 7.5373 117.6325 54.2422 42.0235 177.2895 42 G 3.9406 7.8752 107.1963 45.5224 0.0000 173.2258 43 L 4.8263 7.6694 117.8374 52.7555 44.0304 176.1501 44 K 4.7827 8.8705 120.8729 54.7144 34.2538 177.6533 45 F 3.3845 9.6592 124.2776 61.4788 39.6246 177.4664 46 D 4.2772 8.3297 119.3074 56.9745 40.6879 178.1848 47 D 4.5636 7.8316 118.0299 56.4414 40.9445 177.3847 48 L 4.0146 7.3948 118.1831 55.8147 41.9630 177.3422 49 I 3.6301 6.7161 119.2844 60.6320 37.2848 175.8137 50 A 4.0013 8.6629 128.9364 52.7234 18.4555 176.7851 51 E 4.4012 8.0847 120.2149 56.7185 31.1179 177.0151 52 E 4.3829 7.9088 121.1032 54.4765 28.1105 176.0083 53 N 4.8112 7.4832 116.7581 49.9563 41.6244 173.4418 54 P 4.2325 0.0000 0.0000 66.4914 31.0483 178.6308 55 I 3.6910 7.7583 118.7956 64.5441 37.1194 178.2218 56 M 4.0745 7.9941 118.8668 58.3610 31.8729 178.7217 57 Q 4.0441 8.0722 118.2067 59.0563 28.8314 178.8712 58 T 3.7950 8.1326 116.6183 66.5100 68.6548 176.4058 59 A 3.9631 8.0508 122.5572 55.4176 18.2609 179.8157 60 L 3.9052 8.0820 116.0189 57.4767 41.6209 179.5966 61 R 3.9724 7.4991 118.3346 59.4692 30.1923 178.5016 62 R 4.0187 7.6711 116.1182 57.0810 30.2959 177.0315 63 L 3.1785 6.7383 121.1969 53.8465 42.6570 175.4540 64 P 4.2499 0.0000 0.0000 63.0788 32.8875 176.9480 65 E 3.4295 8.5422 121.0787 59.8050 29.5786 179.7625 66 D 4.4238 7.9406 118.0965 57.5216 40.9188 178.6285 67 E 3.9745 7.9953 118.5699 59.1117 29.5466 179.0464 68 S 4.0608 7.9155 113.4216 61.5816 62.5197 175.8910 69 Y 4.4240 7.7284 119.2876 60.8514 37.6794 178.1389 70 A 4.0914 7.8930 121.5048 55.0272 18.4967 179.6218 71 R 3.7599 8.4047 117.4590 59.5469 30.1370 178.3952 72 A 4.0415 8.0461 120.5849 55.4908 18.3088 178.9986 73 Y 4.0851 8.0290 117.4111 61.0499 38.9273 178.5034 74 R 3.7727 7.9629 118.6709 59.0071 30.0892 179.2905 75 I 3.6062 7.7387 119.6717 64.3965 37.2701 178.4411 76 I 3.7163 7.8170 120.7303 64.4814 36.9120 178.4909 77 R 3.7305 8.0400 119.6374 59.1252 29.7388 178.4735 78 A 3.8797 7.7860 120.5564 55.5238 18.4197 179.2229 79 H 4.1053 8.0602 114.7370 58.9968 28.5062 177.8785 80 Q 3.9248 7.7747 120.1128 59.4668 29.3420 177.9858 81 T 4.0141 7.9797 116.8102 66.7788 68.6748 176.1518 82 E 3.9498 8.6107 121.7372 59.1736 29.3980 178.7964 83 L 4.0033 7.9741 119.1277 58.2422 40.6559 178.4176 84 T 4.1312 7.4123 107.9984 61.3282 69.3002 174.2987 85 H 4.0706 7.6491 117.3476 57.5604 26.6321 173.6566 86 H 5.1687 8.0721 116.2203 53.9688 31.9255 172.2888 87 L 5.0068 8.1814 118.3930 53.1159 45.2810 176.6810 88 L 4.5214 8.4218 120.0516 53.7631 42.7808 175.6895 89 P 4.3489 0.0000 0.0000 62.6797 32.1861 177.6979 90 R 2.0000 8.4611 122.0493 58.9727 29.9027 178.3130 91 N 4.5139 7.8520 111.2383 54.1426 37.1206 174.8168 92 E 4.6728 7.9644 117.2274 55.9217 31.0575 176.4288 93 W 4.6789 8.0862 119.7591 56.4244 29.6951 176.0476 94 I 4.1755 8.3010 122.9806 61.2901 37.4500 176.2848 95 K 4.4660 8.9150 124.4000 55.1580 33.4382 177.6264 96 A 4.0713 8.7220 122.6156 55.9103 17.8665 180.2575 97 Q 3.9988 8.0574 114.9334 59.0669 28.9170 178.2356 98 E 4.2581 8.1360 118.4355 57.9227 31.0004 177.2202 99 D 4.7976 7.5466 120.2187 53.3862 39.5637 175.7032 100 V 4.2117 7.3567 120.2518 61.2727 33.6621 174.6716 101 P 4.8589 0.0000 0.0000 62.1101 29.7006 176.4748 102 Y 4.3064 8.0509 119.8158 60.3016 38.9903 178.5955 103 L 4.1395 7.3032 121.7122 56.6022 42.0850 178.1394 104 L 3.5571 7.2415 121.1498 57.7095 41.9423 177.3295 105 P 4.1050 0.0000 0.0000 66.1969 31.0539 177.9094 106 Y 4.0505 7.8089 116.3545 60.6135 37.6230 178.4652 107 I 3.6807 7.4524 120.4553 64.3617 37.3472 178.2803 108 L 3.9907 8.1510 120.2457 57.5743 41.4428 179.2719 109 E 3.8865 8.1714 119.1725 59.2404 29.7440 178.7497 110 A 4.0297 7.9972 120.8554 55.2109 18.4461 179.4811 111 E 3.9475 8.5595 117.1689 59.4775 29.5440 179.4577 112 A 4.0076 8.1779 120.6521 55.0388 18.4098 179.5580 113 A 3.9386 8.0243 118.9883 55.2775 18.4279 179.7892 114 A 3.9493 7.9887 119.1091 54.9099 18.3855 179.7975 115 K 3.8510 8.1386 118.2430 59.6230 32.3407 178.6328 116 E 4.1525 8.1909 120.8689 58.7526 29.5824 178.6277 117 K 4.0274 8.2166 119.6612 59.5618 31.9336 178.2458 118 D 4.3338 8.0113 117.7542 57.1275 41.1322 177.8402 119 E 4.1113 8.3765 119.2396 59.5148 29.3200 179.3451 120 L 4.1063 8.1792 118.0118 57.8528 41.7125 179.0881 121 D 4.5931 8.0598 117.8611 56.1070 40.6971 176.8167 122 N 5.0393 7.5330 115.5606 52.4985 39.5294 174.5900 123 I 3.8597 7.7878 111.6510 61.0387 38.2393 175.1561 124 E 4.6375 8.4288 121.7310 54.9969 31.4628 175.6550 125 V 4.3267 8.0733 113.4712 59.6417 34.1072 175.9177 126 S 4.5366 8.4023 118.7486 56.3582 62.4153 173.8958 127 K 4.1759 8.4044 125.5378 56.4873 31.9041 177.3521 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 Q 8.33 4.22 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 4 S 8.22 4.33 0.00 4.48 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 5 F 9.96 4.13 0.00 3.31 3.16 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 6 T 8.34 3.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 7 S 8.07 4.06 0.00 3.88 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 0.00 8 I 7.79 3.61 1.99 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.37 0.89 0.00 0.00 9 A 8.55 4.02 1.42 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 10 R 8.26 3.94 0.00 1.96 2.11 0.00 3.08 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 11 I 7.82 3.85 1.86 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 1.39 0.94 0.91 0.00 0.00 12 G 8.60 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 0.00 0.00 0.00 13 D 8.91 4.36 0.00 2.74 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 14 Y 7.62 4.10 0.00 3.00 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 15 I 7.79 3.76 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.90 0.00 0.00 16 L 8.00 3.95 0.00 1.88 1.69 0.91 0.94 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 17 K 7.96 4.33 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.56 7.81 18 S 7.32 4.25 0.00 3.44 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 19 P 0.00 4.15 0.00 2.16 2.07 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 20 V 7.64 3.55 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 1.05 0.00 0.00 0.90 0.00 0.00 21 L 7.62 4.02 0.00 1.57 1.66 0.93 1.17 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 22 S 8.82 4.12 0.00 4.00 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 23 K 8.05 4.14 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.60 7.81 24 L 7.19 4.18 0.00 1.74 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.56 4.24 0.00 2.94 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 26 V 7.25 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 27 P 0.00 4.26 0.00 2.20 2.09 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 28 V 7.81 3.63 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 1.12 0.00 0.00 0.97 0.00 0.00 29 A 8.16 4.04 1.36 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 0.00 0.00 30 N 8.70 4.30 0.00 2.94 2.91 0.00 0.00 6.65 7.35 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 31 Q 8.23 3.95 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 32 F 8.46 4.16 0.00 3.17 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 33 I 7.91 3.66 1.92 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 1.75 0.87 0.84 0.00 0.00 34 N 8.11 4.34 0.00 2.85 2.80 0.00 0.00 6.98 6.73 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 35 L 7.83 4.02 0.00 1.64 1.61 0.93 0.66 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 36 A 7.45 3.92 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 37 G 7.46 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 0.00 0.00 0.00 38 Y 7.25 4.13 0.00 3.20 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 39 K 7.15 4.14 0.00 1.47 1.93 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.13 7.81 40 K 7.36 2.48 0.00 1.41 1.03 0.00 1.19 0.00 0.00 1.06 0.00 0.00 2.34 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.53 7.81 41 L 7.54 4.48 0.00 1.73 1.66 0.85 0.69 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 42 G 7.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.67 4.83 0.00 1.74 1.59 0.89 0.90 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 44 K 8.87 4.78 0.00 1.97 1.92 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.42 7.81 45 F 9.66 3.38 0.00 3.03 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 46 D 8.33 4.28 0.00 2.74 2.18 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 47 D 7.83 4.56 0.00 2.76 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 48 L 7.39 4.01 0.00 1.07 1.27 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 I 6.72 3.63 1.79 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 1.32 0.10 1.11 0.00 0.00 50 A 8.66 4.00 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 51 E 8.08 4.40 0.00 2.15 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 0.00 2.22 2.25 0.00 52 E 7.91 4.38 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 2.31 2.35 0.00 53 N 7.48 4.81 0.00 2.88 2.87 0.00 0.00 5.83 7.76 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 54 P 0.00 4.23 0.00 2.29 2.38 0.00 3.71 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 2.09 2.08 0.00 55 I 7.76 3.69 1.92 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 1.67 0.87 0.95 0.00 0.00 56 M 7.99 4.07 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.62 0.00 57 Q 8.07 4.04 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 58 T 8.13 3.80 4.43 0.00 0.00 0.00 0.00 0.00 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 59 A 8.05 3.96 1.36 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 0.00 0.00 60 L 8.08 3.91 0.00 1.59 1.70 0.92 0.92 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 61 R 7.50 3.97 0.00 2.10 1.94 0.00 3.24 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 1.61 1.64 0.00 62 R 7.67 4.02 0.00 1.98 1.93 0.00 3.29 0.00 0.00 3.38 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 63 L 6.74 3.18 0.00 1.39 1.52 0.95 0.93 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 64 P 0.00 4.25 0.00 2.27 2.17 0.00 3.56 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 2.22 2.15 0.00 65 E 8.54 3.43 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 66 D 7.94 4.42 0.00 2.68 2.75 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 67 E 8.00 3.97 0.00 2.09 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 2.36 2.35 0.00 68 S 7.92 4.06 0.00 3.72 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 69 Y 7.73 4.42 0.00 3.24 2.89 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 70 A 7.89 4.09 1.36 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 0.00 0.00 71 R 8.40 3.76 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 72 A 8.05 4.04 1.49 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 0.00 0.00 73 Y 8.03 4.09 0.00 3.15 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 74 R 7.96 3.77 0.00 2.04 2.02 0.00 3.41 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 75 I 7.74 3.61 2.02 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 1.49 1.09 0.95 0.00 0.00 76 I 7.82 3.72 1.84 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 1.43 1.21 0.92 0.00 0.00 77 R 8.04 3.73 0.00 1.06 1.48 0.00 2.88 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 78 A 7.79 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.06 4.11 0.00 3.38 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.77 3.92 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 81 T 7.98 4.01 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 1.28 0.00 0.00 82 E 8.61 3.95 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 83 L 7.97 4.00 0.00 1.78 1.84 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.41 4.13 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 1.26 0.00 0.00 85 H 7.65 4.07 0.00 3.30 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.07 5.17 0.00 3.14 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.18 5.01 0.00 1.65 1.67 0.91 0.87 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 88 L 8.42 4.52 0.00 1.98 1.78 1.06 0.95 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 89 P 0.00 4.35 0.00 2.04 1.93 0.00 3.81 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 2.13 2.14 0.00 90 R 8.46 2.00 0.00 1.35 1.21 0.00 2.51 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 91 N 7.85 4.51 0.00 2.76 2.84 0.00 0.00 5.83 7.66 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 92 E 7.96 4.67 0.00 2.21 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 2.29 2.27 0.00 93 W 8.09 4.68 0.00 3.33 3.04 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 94 I 8.30 4.18 1.97 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 1.44 0.88 1.02 0.00 0.00 95 K 8.92 4.47 0.00 1.89 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 96 A 8.72 4.07 1.36 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 0.00 0.00 97 Q 8.06 4.00 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 98 E 8.14 4.26 0.00 2.15 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 2.38 2.36 0.00 99 D 7.55 4.80 0.00 2.72 2.85 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 0.00 100 V 7.36 4.21 2.20 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 1.02 0.00 0.00 1.05 0.00 0.00 101 P 0.00 4.86 0.00 2.27 2.27 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 102 Y 8.05 4.31 0.00 3.34 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 0.00 103 L 7.30 4.14 0.00 0.70 1.25 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.24 3.56 0.00 1.65 1.76 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.11 0.00 1.87 2.11 0.00 3.64 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 1.76 1.91 0.00 106 Y 7.81 4.05 0.00 3.22 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 0.00 107 I 7.45 3.68 1.66 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.69 0.00 0.00 108 L 8.15 3.99 0.00 1.62 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.17 3.89 0.00 2.11 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 2.31 2.31 0.00 110 A 8.00 4.03 1.42 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 0.00 111 E 8.56 3.95 0.00 2.20 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 0.00 2.39 2.61 0.00 112 A 8.18 4.01 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 0.00 113 A 8.02 3.94 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 0.00 114 A 7.99 3.95 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 0.00 115 K 8.14 3.85 0.00 1.97 2.06 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.49 7.81 116 E 8.19 4.15 0.00 2.09 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 2.31 2.18 0.00 117 K 8.22 4.03 0.00 1.87 2.01 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 118 D 8.01 4.33 0.00 2.80 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 0.00 119 E 8.38 4.11 0.00 2.21 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 2.33 2.48 0.00 120 L 8.18 4.11 0.00 1.56 1.73 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.06 4.59 0.00 2.88 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 0.00 122 N 7.53 5.04 0.00 2.69 2.76 0.00 0.00 7.01 7.47 0.00 0.00 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 I 7.79 3.86 1.87 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 1.66 0.52 1.00 0.00 0.00 124 E 8.43 4.64 0.00 1.97 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 2.23 2.30 0.00 125 V 8.07 4.33 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 0.71 0.00 0.00 0.93 0.00 0.00 126 S 8.40 4.54 0.00 3.79 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 0.00 127 K 8.40 4.18 0.00 1.77 1.70 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.49 7.81