NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2841 8.3193 115.2903 56.3778 63.3020 172.2029 3 M 3.2475 9.3206 116.7194 54.5904 32.5354 175.3843 4 K 4.5958 9.0572 123.3248 54.5090 35.5217 177.2737 5 T 4.0408 8.3007 119.5331 62.8789 68.8536 174.4443 6 L 4.0386 8.4472 129.0721 54.4308 42.6319 174.9843 7 P 4.4837 0.0000 0.0000 62.3120 32.0760 175.6044 8 K 4.4414 8.3056 119.7504 55.1077 33.0493 176.2729 9 E 4.5995 8.3094 123.8359 54.2911 32.6782 174.5457 10 R 3.8444 8.5434 126.3521 56.3588 30.7266 175.3397 11 R 4.5311 7.7626 122.0029 54.5307 33.4948 175.1856 12 F 4.8429 8.2414 116.1487 57.1459 40.9770 176.6885 13 E 3.5746 8.4428 120.9669 57.0836 27.5904 174.8412 14 T 3.9362 8.3436 121.3725 66.3626 68.9223 174.3547 15 F 4.5135 9.0263 124.0222 57.7095 36.6370 176.0069 16 S 4.5995 8.2967 114.2445 59.5148 63.1521 174.2719 17 Y 4.3548 8.1148 117.6094 58.0409 38.4281 175.4079 18 L 4.6053 7.6316 120.2851 52.3449 43.2619 174.5780 19 P 4.2398 0.0000 0.0000 62.3428 31.7372 174.7517 20 P 4.2281 0.0000 0.0000 63.0857 31.7236 176.1279 21 L 4.3377 8.4016 123.1852 54.2550 42.3248 177.8854 22 S 4.3776 8.9611 119.0232 58.2256 65.0875 175.3220 23 D 4.4112 8.5682 121.9734 57.0733 40.6122 179.0148 24 R 4.0837 7.8982 118.4986 58.8416 30.1919 178.6008 25 Q 3.9562 7.8278 117.7049 58.6760 28.6648 178.6259 26 I 3.6820 8.1307 121.1351 64.4065 37.1239 178.3441 27 A 4.0906 8.1110 121.3819 55.0661 18.2066 179.5568 28 A 3.9760 7.9923 119.3148 55.4069 18.4070 179.9380 29 Q 4.0508 7.9549 116.4028 59.1934 28.7965 178.9464 30 I 4.0193 8.1376 120.9352 64.2218 37.0538 178.3268 31 E 4.0299 8.7008 120.1548 59.4245 29.2305 178.6048 32 Y 4.1044 8.0973 119.4153 61.1718 38.8731 177.5968 33 M 4.0157 8.2693 119.3635 58.9533 32.1578 178.6753 34 I 3.6405 7.9200 119.1272 64.6562 37.2007 178.2245 35 E 3.8498 7.9869 118.6434 59.1224 29.5303 178.1128 36 Q 3.6680 7.4283 117.9787 56.6344 29.0177 176.6478 37 G 3.7942 7.3558 107.3250 45.3137 0.0000 173.4949 38 F 4.9223 7.0561 117.7800 57.5671 40.0734 174.6605 39 H 4.9539 9.0796 119.3217 54.0547 30.3769 173.1747 40 P 4.9887 0.0000 0.0000 62.4999 32.9263 175.1182 41 L 4.9277 9.2404 124.9790 53.4848 45.9145 174.7334 42 I 5.0448 8.5518 126.0905 59.7651 39.7034 174.4025 43 E 5.5602 9.1895 125.6854 54.6411 34.0104 174.7143 44 F 5.7319 8.9433 115.9565 55.7004 41.9555 172.9947 45 N 4.9352 8.6479 117.8414 51.9998 41.8993 175.1679 46 E 4.0409 8.7514 122.3023 58.3181 30.3278 176.1193 47 H 5.1125 7.6244 114.9375 54.3001 33.1035 173.0899 48 S 4.5619 8.2523 114.6771 56.4932 61.1008 172.0211 49 N 4.8045 7.7749 119.8634 50.5716 39.7221 174.8414 50 P 4.4855 0.0000 0.0000 65.5188 31.6550 177.4712 51 E 3.8504 7.5747 118.6312 58.1851 29.7121 176.2804 *64 E 4.1119 7.7659 116.7813 56.2148 30.6950 175.8133 65 F 4.5050 8.3564 121.6276 59.4498 39.4734 175.6377 66 Y 4.9070 8.3217 117.7949 56.0067 39.6002 175.3739 67 W 4.7894 8.8644 124.0498 55.4732 32.0395 175.3698 68 T 4.2218 8.0591 117.8079 62.8073 69.3651 174.4032 69 M 4.4827 8.4158 126.1993 55.0935 33.2100 175.1529 70 W 4.7548 9.3844 135.0000 56.5125 31.4736 176.9049 71 K 3.3829 8.4924 128.2457 57.4466 30.9645 178.0240 72 L 4.8554 8.2406 124.5858 52.6250 45.3028 173.9412 73 P 4.2277 0.0000 0.0000 62.8964 31.7129 177.6879 74 L 4.3242 8.2407 122.9925 53.5034 40.0121 177.6496 75 F 4.3208 8.2181 120.6471 59.4405 39.7405 175.9055 76 A 4.8665 7.7256 122.2440 51.3737 19.1406 176.1142 77 C 4.2608 8.0759 121.8484 60.0196 32.2022 172.6581 78 A 4.5056 8.7359 129.0872 52.0053 20.5657 176.0128 79 A 4.7760 7.6770 119.0169 49.6683 21.1468 175.3994 80 P 4.2927 0.0000 0.0000 65.9114 31.3495 178.7083 81 Q 3.9534 8.0616 117.8072 59.0725 28.9145 177.6708 82 Q 4.0068 7.8835 120.8354 59.2814 29.0044 178.7916 83 V 3.6198 7.7483 118.5074 66.1498 31.7476 177.8675 84 L 4.0322 8.2411 118.9262 57.8880 41.3679 179.3205 85 D 4.3880 8.6918 119.3996 57.3796 40.6967 178.6537 86 E 4.1398 8.1424 119.1099 59.2910 29.4878 179.4343 87 V 3.4381 7.9709 118.4658 65.8889 31.6287 178.3971 88 R 3.8066 8.0818 117.7910 59.2155 29.8138 178.7280 89 E 3.9181 8.1624 118.3801 59.6678 29.4584 179.0664 90 C 2.4500 7.5988 118.8181 61.8731 31.1466 175.8604 91 R 3.7231 7.3944 119.0388 59.0681 29.6679 178.9199 92 S 4.1272 7.6077 112.9840 60.9829 63.0613 175.6023 93 E 3.9506 7.4712 122.0647 57.4068 30.6424 175.8319 94 Y 4.8027 7.9425 116.4248 57.0528 38.7397 177.0389 95 G 3.6380 7.8627 109.4896 47.7287 0.0000 174.2110 96 D 4.7449 8.0044 117.9901 53.5650 39.7842 175.4375 97 C 5.0129 7.7105 116.8568 58.0665 31.6275 173.4201 98 Y 4.4536 8.7518 119.0451 58.2548 38.9622 175.0446 99 I 5.4616 9.2110 123.5454 59.6973 41.2945 174.4278 100 R 4.9710 9.3971 126.5220 54.4965 33.7417 173.8067 101 V 4.6292 8.1256 125.4562 61.3373 33.4188 174.3986 102 A 5.1861 9.2157 129.1910 50.0338 22.7947 174.7441 103 G 4.5182 8.6830 107.1799 44.3348 0.0000 172.0318 104 F 4.8389 9.1636 125.9298 55.9862 42.4639 173.3722 105 D 5.0585 8.1213 127.1406 53.2154 41.5014 176.5349 106 N 4.9387 9.1470 123.6215 54.3682 38.4377 176.4844 107 I 4.0060 8.0837 120.1249 64.1381 37.4126 177.3021 108 K 4.0237 8.1998 116.2518 56.4665 32.8453 176.0743 109 E 3.8530 8.0505 119.0487 56.7997 27.8800 172.8092 110 C 4.5133 7.2714 118.3740 57.4977 36.3414 173.2934 111 Q 4.2361 8.3540 125.3162 56.2943 28.6304 175.3204 112 T 4.2194 8.7196 116.8901 62.2177 70.7595 174.9358 113 S 4.8965 7.3267 116.1116 56.7314 67.4967 173.4742 114 S 4.9403 8.6015 111.4660 57.8651 64.8534 175.1883 115 F 5.0913 8.0836 122.0018 55.4675 41.5494 173.8962 116 I 4.3244 8.6994 122.6582 61.8168 37.3796 176.2133 117 V 4.5051 8.6916 118.3233 61.8316 33.2457 175.6441 118 H 4.8842 8.0852 120.3561 54.7669 33.2115 172.0525 119 R 4.5433 8.1107 124.0093 53.2237 32.6595 174.0417 120 P 4.5292 0.0000 0.0000 61.6171 32.5840 175.6183 121 G 3.6541 8.7627 108.0992 46.7828 0.0000 173.7411 122 R 4.1025 8.4763 122.0623 56.1298 31.0533 176.2570 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 2 S 8.32 4.28 0.00 3.85 3.69 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 3 M 9.32 3.25 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 4 K 9.06 4.60 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 T 8.30 4.04 4.25 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 1.22 0.00 0.00 6 L 8.45 4.04 0.00 1.60 1.60 0.97 1.07 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 7 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 8 K 8.31 4.44 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 E 8.31 4.60 0.00 1.84 1.69 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 2.17 2.30 0.00 10 R 8.54 3.84 0.00 1.74 1.68 0.00 3.12 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.00 11 R 7.76 4.53 0.00 1.72 1.69 0.00 3.15 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 12 F 8.24 4.84 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.44 3.57 0.00 2.18 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 2.30 2.23 0.00 14 T 8.34 3.94 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 0.36 0.00 0.00 15 F 9.03 4.51 0.00 3.27 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 16 S 8.30 4.60 0.00 4.23 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 0.00 17 Y 8.11 4.35 0.00 2.98 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 18 L 7.63 4.61 0.00 1.81 1.59 0.87 1.12 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 19 P 0.00 4.24 0.00 2.02 2.02 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.68 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 2.05 2.16 0.00 21 L 8.40 4.34 0.00 1.62 1.51 0.56 0.62 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 8.96 4.38 0.00 4.03 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 23 D 8.57 4.41 0.00 2.79 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 24 R 7.90 4.08 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.83 3.96 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.13 3.68 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 1.13 0.00 0.00 27 A 8.11 4.09 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 28 A 7.99 3.98 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 29 Q 7.95 4.05 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 30 I 8.14 4.02 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 1.00 0.00 0.00 31 E 8.70 4.03 0.00 2.25 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 2.36 2.45 0.00 32 Y 8.10 4.10 0.00 3.10 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 33 M 8.27 4.02 0.00 2.26 2.46 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 I 7.92 3.64 1.98 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 1.79 1.02 0.96 0.00 0.00 35 E 7.99 3.85 0.00 1.93 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 2.18 2.25 0.00 36 Q 7.43 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 37 G 7.36 3.79 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 0.00 0.00 0.00 38 F 7.06 4.92 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.08 4.95 0.00 3.35 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.99 0.00 2.11 2.02 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 9.24 4.93 0.00 1.62 1.45 0.90 0.97 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 42 I 8.55 5.04 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.92 0.00 0.00 43 E 9.19 5.56 0.00 2.11 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 0.00 2.28 2.24 0.00 44 F 8.94 5.73 0.00 3.04 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 45 N 8.65 4.94 0.00 1.44 1.42 0.00 0.00 7.17 7.08 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 46 E 8.75 4.04 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 47 H 7.62 5.11 0.00 3.01 3.16 0.00 5.84 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 48 S 8.25 4.56 0.00 2.84 3.54 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 49 N 7.77 4.80 0.00 2.76 2.69 0.00 0.00 6.74 8.03 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 50 P 0.00 4.49 0.00 2.15 2.16 0.00 3.73 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 1.95 1.95 0.00 51 E 7.57 3.85 0.00 2.19 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 2.26 2.25 0.00 *64 E 7.77 4.11 0.00 2.10 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 2.14 2.23 0.00 65 F 8.36 4.50 0.00 2.37 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 0.00 0.00 0.00 0.00 66 Y 8.32 4.91 0.00 3.07 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 67 W 8.86 4.79 0.00 3.12 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 68 T 8.06 4.22 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 0.99 0.00 0.00 69 M 8.42 4.48 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 70 W 9.38 4.75 0.00 3.72 3.32 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 71 K 8.49 3.38 0.00 1.63 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.81 0.21 7.81 72 L 8.24 4.86 0.00 1.54 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 74 L 8.24 4.32 0.00 1.71 1.63 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.22 4.32 0.00 3.07 3.02 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 76 A 7.73 4.87 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 77 C 8.08 4.26 0.00 3.08 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 78 A 8.74 4.51 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 79 A 7.68 4.78 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 80 P 0.00 4.29 0.00 2.20 2.19 0.00 3.63 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 2.15 2.20 0.00 81 Q 8.06 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 82 Q 7.88 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 83 V 7.75 3.62 2.29 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 1.07 0.00 0.00 0.99 0.00 0.00 84 L 8.24 4.03 0.00 1.89 1.73 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.69 4.39 0.00 2.85 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 86 E 8.14 4.14 0.00 2.19 2.25 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 2.64 2.62 0.00 87 V 7.97 3.44 2.21 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 0.98 0.00 0.00 0.98 0.00 0.00 88 R 8.08 3.81 0.00 2.03 1.91 0.00 3.32 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 1.69 1.80 0.00 89 E 8.16 3.92 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 90 C 7.60 2.45 0.00 1.31 2.40 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 91 R 7.39 3.72 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 92 S 7.61 4.13 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.47 3.95 0.00 1.86 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 2.14 1.47 0.00 94 Y 7.94 4.80 0.00 2.74 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 95 G 7.86 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 0.00 0.00 0.00 96 D 8.00 4.74 0.00 2.78 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 97 C 7.71 5.01 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.75 4.45 0.00 2.84 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 99 I 9.21 5.46 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.94 0.00 0.00 100 R 9.40 4.97 0.00 1.66 1.49 0.00 2.38 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.00 101 V 8.13 4.63 1.16 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 0.77 0.00 0.00 0.81 0.00 0.00 102 A 9.22 5.19 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 0.00 103 G 8.68 4.52 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 0.00 0.00 0.00 104 F 9.16 4.84 0.00 3.18 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 0.00 105 D 8.12 5.06 0.00 2.27 2.29 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 0.00 106 N 9.15 4.94 0.00 3.05 3.27 0.00 0.00 6.32 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.08 4.01 2.07 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 1.33 0.61 0.93 0.00 0.00 108 K 8.20 4.02 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 109 E 8.05 3.85 0.00 2.10 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 2.44 2.66 0.00 110 C 7.27 4.51 0.00 2.81 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 0.00 0.00 0.00 0.00 111 Q 8.35 4.24 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 112 T 8.72 4.22 3.55 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 0.44 0.00 0.00 113 S 7.33 4.90 0.00 3.99 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 0.00 114 S 8.60 4.94 0.00 3.71 3.62 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 0.00 115 F 8.08 5.09 0.00 3.31 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.70 4.32 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.07 0.00 0.00 117 V 8.69 4.51 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 0.74 0.00 0.00 0.97 0.00 0.00 118 H 8.09 4.88 0.00 3.12 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.11 4.54 0.00 1.45 1.44 0.00 3.20 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 120 P 0.00 4.53 0.00 1.86 1.92 0.00 2.20 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 1.12 0.00 121 G 8.76 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.48 4.10 0.00 1.99 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.