NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1915 8.1727 122.0537 56.2935 34.1659 174.1161 2 V 4.6641 8.1619 126.5628 60.6620 32.4422 174.5072 3 F 4.5633 9.0380 127.8662 57.4542 40.1378 174.6845 4 E 4.3409 9.2663 119.5882 55.3173 31.4908 176.2752 5 R 3.5062 9.0553 118.9428 61.1205 30.0622 179.1738 6 C 4.3777 8.2333 115.7189 59.7186 36.4860 175.8523 7 E 3.9132 7.9268 120.1644 59.0578 29.1953 178.5647 8 L 3.6242 8.2211 120.4742 57.7470 42.0714 178.6070 9 A 3.9325 7.8333 120.7563 55.5174 18.3668 179.9557 10 R 3.9341 7.9923 116.3345 59.4459 30.0332 179.5952 11 T 3.8102 7.6385 115.7814 66.7033 68.5733 176.6349 12 L 3.8178 8.0883 121.2224 57.8638 41.6153 179.7546 13 K 3.9604 8.0867 119.6543 59.3884 31.9744 179.1000 14 R 4.0760 7.8320 115.0852 58.4396 29.4059 177.6667 15 L 4.4454 7.4316 118.5340 53.7956 41.8561 176.4019 16 G 3.8649 7.8443 106.4724 47.2027 0.0000 175.2581 17 M 3.9601 7.7977 120.8164 55.9643 32.7620 176.0274 18 D 4.5533 8.0247 118.3801 55.6013 41.3729 175.9990 19 G 3.9152 9.5411 115.9672 45.2918 0.0000 171.5084 20 Y 4.1094 8.1537 121.5811 58.5366 38.6967 175.9895 21 R 3.4490 8.8463 128.6939 57.4810 28.2840 176.8341 22 G 3.8555 8.1365 102.7536 45.3087 0.0000 173.9856 23 I 4.0188 7.3415 121.9359 59.6924 38.2719 176.0035 24 S 4.7187 8.2482 120.6042 57.6520 65.2187 174.9326 25 L 4.2398 8.6955 124.1389 58.4295 41.8670 179.0144 26 A 4.1230 8.1935 120.2255 55.5232 18.2650 179.2433 27 N 4.4180 7.8773 114.1855 56.2664 38.6271 177.7367 28 W 4.2442 8.0051 120.0136 60.0552 29.1419 178.4993 29 M 4.1817 8.5243 118.9287 58.5520 31.5035 178.0230 30 C 3.3110 8.1248 118.6538 59.0059 44.4429 175.3851 31 L 4.0263 8.0763 121.7946 58.2450 41.7074 178.7482 32 A 4.2854 8.2087 122.0400 54.5377 18.2978 179.1410 33 K 3.2656 8.3976 118.0113 59.7640 32.0615 179.0981 34 W 4.1262 8.0070 117.7431 59.1912 29.0848 178.1521 35 E 4.2941 8.4168 119.5662 58.7456 28.9924 177.5057 36 S 4.5051 8.3494 109.1252 56.9742 65.5215 174.9375 37 G 3.3617 8.2716 109.0845 46.6579 0.0000 173.7656 38 Y 3.8074 8.0348 114.1495 58.1084 35.0295 167.8042 39 N 5.3269 7.7074 119.2217 52.1084 39.7374 175.7744 40 T 3.9609 9.0069 117.5048 63.8678 69.8215 175.7441 41 R 4.5050 8.2177 120.1084 55.9588 30.8161 176.6376 42 A 4.3809 7.8338 122.9441 52.5828 19.4504 177.4313 43 T 5.4316 8.1730 109.3926 60.7949 72.2654 172.9676 44 N 4.8178 8.3302 121.3269 52.9572 42.2809 172.3478 45 Y 4.8752 8.7510 127.8582 56.8736 40.6674 174.5187 46 N 4.5900 8.5513 123.6100 51.1591 39.8230 175.2593 47 A 3.6081 8.3058 128.0723 54.7419 19.0229 178.8819 48 G 3.8123 8.1710 104.3344 48.4237 0.0000 174.0505 49 D 4.7362 7.7939 117.3604 51.9418 39.7083 176.4436 50 R 4.3009 7.6290 116.0734 57.4958 28.3792 175.9411 51 S 4.9096 7.2813 112.4087 57.2631 66.1365 172.7832 52 T 5.0883 8.8878 115.8412 61.9541 72.7909 172.8927 53 D 5.3266 9.1031 125.2061 53.3435 42.9237 175.1341 54 Y 5.0366 9.1421 120.8617 57.5026 41.3217 177.4785 55 G 4.0275 9.0089 110.8118 45.5895 0.0000 173.7099 56 I 4.1024 8.0820 116.4688 62.8498 38.1003 178.1484 57 F 4.7743 7.8786 115.8528 56.4474 40.1410 175.1658 58 Q 3.5691 7.4954 118.7921 56.9585 26.0674 172.7243 59 I 4.5244 8.6477 119.6678 60.2337 39.3888 176.2155 60 N 5.2175 9.2103 126.9585 53.6953 39.5230 175.8385 61 S 4.6530 9.2234 121.0124 60.6937 63.4943 175.5906 62 R 3.7995 8.4672 121.9250 58.7697 30.3591 177.8671 63 Y 4.4528 7.8046 114.3807 57.5281 40.7483 176.9600 64 W 4.9005 8.1337 118.8749 57.7351 31.1969 173.9745 65 C 5.7912 8.1297 111.9515 52.4317 40.9828 172.3231 66 N 5.0647 9.0928 119.2387 52.2532 39.6878 174.8078 67 D 4.6685 8.9528 124.5915 52.3807 40.5876 177.2657 68 G 3.9771 8.3412 107.7961 45.9303 0.0000 174.1583 69 K 4.6144 8.7420 116.6724 56.3120 33.5142 175.6662 70 T 4.5864 7.8439 115.8432 61.4477 70.1372 172.7144 71 P 4.3290 0.0000 0.0000 63.4163 32.0380 176.4548 72 G 4.1217 8.7083 108.1487 46.2912 0.0000 173.5367 73 A 4.1993 7.2770 121.7772 51.5559 18.9296 178.1895 74 V 4.4012 8.2718 121.2511 61.1522 34.9008 175.0623 75 N 4.9509 8.0379 118.6192 51.7160 38.5564 174.8916 76 A 3.9395 8.2630 122.8542 54.9454 19.0991 178.3005 77 C 4.5938 8.2809 111.3262 56.9140 41.4057 173.0926 78 H 4.0353 7.9964 116.7362 55.7691 26.1412 173.5218 79 L 4.5536 7.2776 117.6200 54.4132 43.7614 174.9323 80 S 4.6721 8.3958 114.3878 58.0020 63.1837 175.8706 81 C 4.0885 9.0966 124.9105 59.6671 34.5101 176.3759 82 A 3.8118 7.7843 122.0350 54.7859 17.8077 179.0543 83 A 4.1262 7.8404 118.1434 54.2275 18.5573 178.0688 84 L 4.5053 7.6474 116.8349 54.7733 41.8808 177.4503 85 L 5.5714 7.7009 116.5030 53.6615 42.4726 176.5184 86 Q 4.5090 7.8102 117.3673 54.7436 30.0339 175.7675 87 D 4.4125 8.6195 120.0740 57.1773 41.0711 176.7435 88 N 4.6397 8.0356 118.0898 53.0291 39.2948 174.5165 89 I 4.2907 8.4051 119.0461 61.1031 38.0800 177.0598 90 A 3.9303 8.5131 125.6476 56.0813 18.1019 180.3075 91 D 4.3275 8.0778 116.5106 57.2181 40.8920 178.7128 92 A 4.0764 7.9373 121.0587 55.0097 18.4020 179.6668 93 V 3.3621 8.0625 116.7049 66.0155 31.3395 177.9929 94 A 3.8182 7.7833 120.4653 55.4943 18.2389 178.8574 95 C 4.2593 8.4563 116.5065 59.3128 40.1469 175.6443 96 A 3.9225 8.0802 123.1395 55.0094 17.6516 179.7157 97 K 3.7548 7.7159 116.2078 59.3805 32.3679 179.2924 98 R 4.0841 7.5553 118.9633 59.1237 30.1311 178.5825 99 V 2.2899 7.3224 118.4686 65.7310 31.6172 178.0426 100 V 3.8876 7.7163 111.1822 62.8331 31.4351 178.0783 101 R 4.2448 7.6086 118.4625 57.9722 30.5309 176.8708 102 D 4.6733 7.8865 118.2350 52.8086 41.5034 175.3449 103 P 4.1695 0.0000 0.0000 66.1340 30.6732 177.4142 104 Q 3.9782 8.1414 119.2206 56.5049 30.1815 176.6481 105 G 4.1019 8.1011 106.9479 46.6966 0.0000 174.7779 106 I 3.8151 7.7002 119.0215 62.8694 38.0908 178.2145 107 R 4.4260 7.2557 116.8466 58.2350 30.0639 177.4976 108 A 4.0777 7.5685 120.9383 54.4090 18.6337 177.7329 109 W 4.6598 8.1425 116.7685 55.7234 29.4527 177.2687 110 V 3.7095 8.8603 124.0180 66.1688 30.8842 177.6646 111 A 4.0325 8.2034 119.9754 54.7687 18.3093 179.2650 112 W 3.9927 8.3136 126.5344 60.6386 29.5440 178.4198 113 R 3.5109 8.2317 117.5248 59.4024 29.3812 178.7276 114 N 4.4326 8.0150 114.7866 55.2107 38.5850 176.1240 115 R 4.1358 7.5415 116.2403 55.5153 32.6677 175.5364 116 C 4.5202 7.9955 114.7223 57.7689 42.3915 174.3710 117 Q 3.3351 5.7400 117.3254 57.2816 28.5671 176.1930 118 N 4.3019 8.6984 120.6090 53.6267 36.3730 173.9821 119 R 4.5209 7.2432 116.6709 53.9177 32.4558 175.4056 120 D 4.4970 8.5139 119.6235 54.6689 41.1350 176.2249 121 V 4.7843 8.3422 118.9301 61.3147 32.7431 177.9384 122 R 4.0585 8.2357 123.2698 59.2318 29.5603 178.6126 123 Q 3.9849 8.2596 117.1685 59.8128 27.9399 178.6039 124 Y 4.1159 7.5981 117.0247 59.9889 38.1860 177.1076 125 V 4.4463 8.0093 110.3645 60.5571 33.6183 175.3248 126 Q 4.2395 7.6028 120.3540 57.2752 28.6336 176.5762 127 G 4.0373 9.1537 111.5198 45.4710 0.0000 174.3370 128 C 4.4745 7.8702 115.5585 56.4403 40.9277 173.7371 129 G 3.8156 8.0476 107.0315 46.9105 0.0000 174.0656 130 V 3.9889 7.9122 117.4686 61.0896 31.9026 176.1972 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 K 8.17 4.19 0.00 1.86 1.66 0.00 1.28 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.20 7.81 2 V 8.16 4.66 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 0.92 0.00 0.00 0.96 0.00 0.00 3 F 9.04 4.56 0.00 2.85 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 4 E 9.27 4.34 0.00 2.14 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 2.25 2.33 0.00 5 R 9.06 3.51 0.00 2.06 1.99 0.00 3.42 0.00 0.00 3.47 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 6 C 8.23 4.38 0.00 3.24 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 7 E 7.93 3.91 0.00 2.15 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 0.00 2.58 2.37 0.00 8 L 8.22 3.62 0.00 1.36 1.36 0.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.83 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.99 3.93 0.00 1.90 2.00 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 11 T 7.64 3.81 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 1.20 0.00 0.00 12 L 8.09 3.82 0.00 1.56 1.57 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.09 3.96 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 R 7.83 4.08 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 15 L 7.43 4.45 0.00 1.64 1.60 0.84 0.88 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 16 G 7.84 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 0.00 0.00 0.00 17 M 7.80 3.96 0.00 1.24 1.88 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 18 D 8.02 4.55 0.00 2.68 2.66 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 19 G 9.54 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 20 Y 8.15 4.11 0.00 3.38 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 21 R 8.85 3.45 0.00 1.34 1.84 0.00 3.26 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 22 G 8.14 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 0.00 0.00 0.00 23 I 7.34 4.02 1.87 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.71 -0.41 0.00 0.00 24 S 8.25 4.72 0.00 4.10 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 25 L 8.70 4.24 0.00 2.13 1.80 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.19 4.12 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 0.00 0.00 0.00 0.00 0.00 27 N 7.88 4.42 0.00 2.79 2.68 0.00 0.00 7.04 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 28 W 8.01 4.24 0.00 3.62 3.10 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 29 M 8.52 4.18 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 30 C 8.12 3.31 0.00 2.51 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 31 L 8.08 4.03 0.00 1.82 1.85 0.53 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.21 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.27 0.00 2.12 2.02 0.00 0.70 0.00 0.00 1.29 0.00 0.00 2.74 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.49 0.92 7.81 34 W 8.01 4.13 0.00 3.37 3.31 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 35 E 8.42 4.29 0.00 2.30 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 2.31 2.45 0.00 36 S 8.35 4.51 0.00 4.12 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 37 G 8.27 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 0.00 0.00 0.00 38 Y 8.03 3.81 0.00 3.21 3.12 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 0.00 0.00 0.00 39 N 7.71 5.33 0.00 2.77 2.83 0.00 0.00 6.97 7.10 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 40 T 9.01 3.96 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 1.42 0.00 0.00 41 R 8.22 4.51 0.00 1.86 2.02 0.00 3.18 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 42 A 7.83 4.38 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 43 T 8.17 5.43 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 44 N 8.33 4.82 0.00 2.91 2.74 0.00 0.00 6.64 7.56 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 45 Y 8.75 4.88 0.00 2.92 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 46 N 8.55 4.59 0.00 2.50 2.57 0.00 0.00 6.78 7.99 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 47 A 8.31 3.61 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 48 G 8.17 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.79 4.74 0.00 2.74 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 50 R 7.63 4.30 0.00 2.02 2.10 0.00 3.17 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 51 S 7.28 4.91 0.00 3.87 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 52 T 8.89 5.09 4.12 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 0.00 0.00 0.68 0.00 0.00 53 D 9.10 5.33 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 54 Y 9.14 5.04 0.00 3.01 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 55 G 9.01 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 56 I 8.08 4.10 1.68 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 0.89 1.60 0.14 0.00 0.00 57 F 7.88 4.77 0.00 3.16 2.86 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 58 Q 7.50 3.57 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 59 I 8.65 4.52 2.13 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 1.43 1.12 1.13 0.00 0.00 60 N 9.21 5.22 0.00 3.08 3.04 0.00 0.00 6.95 7.20 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 61 S 9.22 4.65 0.00 4.06 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 62 R 8.47 3.80 0.00 1.72 1.73 0.00 2.81 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 63 Y 7.80 4.45 0.00 1.85 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 0.00 0.00 0.00 0.00 64 W 8.13 4.90 0.00 3.58 3.28 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 65 C 8.13 5.79 0.00 3.12 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 66 N 9.09 5.06 0.00 2.83 2.71 0.00 0.00 7.16 8.07 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 67 D 8.95 4.67 0.00 2.86 2.67 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 0.00 0.00 0.00 68 G 8.34 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 69 K 8.74 4.61 0.00 1.84 1.86 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.63 7.81 70 T 7.84 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 71 P 0.00 4.33 0.00 2.15 1.95 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 72 G 8.71 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.28 4.20 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 74 V 8.27 4.40 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 0.74 0.00 0.00 0.91 0.00 0.00 75 N 8.04 4.95 0.00 2.75 2.59 0.00 0.00 6.77 7.67 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 76 A 8.26 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.28 4.59 0.00 3.38 3.25 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 78 H 8.00 4.04 0.00 3.30 3.38 0.00 5.87 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 79 L 7.28 4.55 0.00 1.83 1.74 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.40 4.67 0.00 3.86 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 81 C 9.10 4.09 0.00 2.19 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 82 A 7.78 3.81 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 83 A 7.84 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.65 4.51 0.00 1.97 1.79 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.70 5.57 0.00 1.69 1.69 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.81 4.51 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 7.07 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 87 D 8.62 4.41 0.00 2.63 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 88 N 8.04 4.64 0.00 2.69 2.75 0.00 0.00 6.93 7.94 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 89 I 8.41 4.29 1.75 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 1.56 0.36 0.90 0.00 0.00 90 A 8.51 3.93 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 91 D 8.08 4.33 0.00 2.71 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 92 A 7.94 4.08 1.43 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 0.00 0.00 0.00 93 V 8.06 3.36 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 0.79 0.00 0.00 0.87 0.00 0.00 94 A 7.78 3.82 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 95 C 8.46 4.26 0.00 3.06 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 96 A 8.08 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.72 3.75 0.00 1.61 1.40 0.00 1.29 0.00 0.00 0.83 0.00 0.00 2.43 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.98 7.81 98 R 7.56 4.08 0.00 1.96 2.10 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 99 V 7.32 2.29 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 -0.26 0.00 0.00 -0.40 0.00 0.00 100 V 7.72 3.89 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 1.07 0.00 0.00 1.44 0.00 0.00 101 R 7.61 4.24 0.00 2.12 2.05 0.00 3.25 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 102 D 7.89 4.67 0.00 3.06 2.61 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 0.00 103 P 0.00 4.17 0.00 2.15 2.21 0.00 3.77 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 1.98 1.98 0.00 104 Q 8.14 3.98 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.80 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 105 G 8.10 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 0.00 106 I 7.70 3.82 1.02 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.87 -0.97 0.00 0.00 107 R 7.26 4.43 0.00 2.13 2.09 0.00 3.38 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.75 0.00 108 A 7.57 4.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.14 4.66 0.00 3.55 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 0.00 110 V 8.86 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.20 4.03 1.50 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 0.00 0.00 112 W 8.31 3.99 0.00 3.41 3.50 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 0.00 113 R 8.23 3.51 0.00 2.11 1.93 0.00 3.42 0.00 0.00 3.74 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 114 N 8.02 4.43 0.00 2.55 2.69 0.00 0.00 6.88 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 0.00 115 R 7.54 4.14 0.00 0.82 0.66 0.00 2.50 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.18 0.00 116 C 8.00 4.52 0.00 1.73 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 0.00 117 Q 5.74 3.34 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.99 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 118 N 8.70 4.30 0.00 2.80 2.89 0.00 0.00 7.00 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 0.00 119 R 7.24 4.52 0.00 1.88 1.81 0.00 3.19 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 120 D 8.51 4.50 0.00 2.65 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 0.00 121 V 8.34 4.78 2.31 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 0.91 0.00 0.00 1.04 0.00 0.00 122 R 8.24 4.06 0.00 2.02 2.02 0.00 3.18 0.00 0.00 3.63 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.26 3.98 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.21 1.64 0.00 124 Y 7.60 4.12 0.00 3.25 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 0.00 125 V 8.01 4.45 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 1.02 0.00 0.00 1.09 0.00 0.00 126 Q 7.60 4.24 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 127 G 9.15 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 0.00 0.00 0.00 128 C 7.87 4.47 0.00 2.99 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 0.00 129 G 8.05 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 0.00 130 V 7.91 3.99 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 0.74 0.00 0.00 0.97 0.00 0.00