NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.1752 8.2393 120.8606 56.0458 31.1387 174.7677 4 V 3.7727 8.2917 125.4994 59.7644 31.4450 173.5948 5 P 4.5468 0.0000 0.0000 61.4976 33.0835 177.8138 6 L 4.3409 8.1688 120.8666 54.9021 42.4448 177.7493 7 T 4.3485 8.8601 112.2483 60.7155 71.3204 175.7995 8 A 3.9851 8.4663 123.2373 55.6034 18.2529 179.8361 9 E 3.9087 8.1399 116.3521 59.5468 29.6039 179.2980 10 E 3.9664 8.1755 118.5632 59.3261 29.4827 179.1612 11 L 3.9522 7.9058 120.3142 58.1729 42.0985 178.6148 12 E 3.9152 8.3748 119.3209 59.3187 29.5177 178.9159 13 R 4.0156 8.3521 118.4833 59.1304 30.1441 179.2033 14 G 3.6444 8.1668 105.4107 47.9628 0.0000 175.7184 15 Q 4.0216 8.3436 121.1292 58.6777 28.7313 179.0633 16 R 4.0046 8.2898 119.4015 59.1936 30.0933 178.7985 17 L 4.0404 8.1988 120.2258 58.1056 42.0387 179.2496 18 G 3.6942 8.0626 106.8541 47.3031 0.0000 175.3409 19 E 3.9705 8.3255 121.4697 59.0763 29.4259 179.3337 20 L 3.9372 8.0761 120.2338 58.1272 42.1003 179.0314 21 L 3.9607 8.0843 119.0189 57.6695 41.5425 179.4245 22 R 4.0120 8.3637 119.0675 59.6603 29.8289 178.7818 23 S 4.1165 8.1128 113.6246 61.5803 62.8890 176.2758 24 A 4.1225 8.0899 122.7749 54.9947 18.1313 179.3652 25 R 3.9598 8.1835 116.9935 57.5294 30.6584 178.4903 26 G 3.7246 8.3077 106.1612 47.2589 0.0000 176.9259 27 D 4.5349 8.4911 118.3593 52.6705 39.8280 176.1482 *29 S 4.2351 7.5512 117.8970 57.9531 63.6635 174.4776 *31 V 4.0670 8.2904 113.8192 63.4397 33.2512 178.4857 32 T 3.9388 8.0171 116.3109 66.5896 68.2612 176.5379 33 V 3.5795 7.8754 119.8773 66.1520 31.4449 177.7984 34 A 4.0035 8.0166 119.6473 55.1333 18.1525 179.1002 35 F 4.1261 8.6687 119.4555 61.8063 39.2939 177.2020 36 D 4.1299 8.3320 116.9124 56.7528 40.6782 177.9134 37 A 4.2646 7.9871 119.6487 51.8432 19.0187 177.2909 38 G 3.6389 7.6264 105.4228 46.6128 0.0000 173.1238 39 I 4.6670 7.8718 112.0718 57.7656 41.1041 175.2041 40 S 4.5505 8.1819 115.0905 57.6195 65.3989 175.2065 41 V 3.6194 8.2217 121.9173 66.1105 31.3353 177.9156 42 E 3.9691 8.2386 117.9304 59.8708 29.3570 179.3620 43 T 3.8740 8.1118 115.6180 66.5524 68.5421 176.4846 44 L 3.9533 7.9637 122.2232 57.9807 42.1894 178.7742 45 R 3.8619 8.4894 119.0079 59.6164 30.0463 178.6522 46 K 4.0062 8.1331 118.0381 59.4015 32.1408 179.4524 47 I 3.6894 8.3044 120.4094 64.5971 36.7158 178.4469 48 E 4.2370 8.8349 119.8704 58.6301 28.9846 178.4359 49 T 4.6173 7.5958 107.1100 60.5056 69.3076 174.5459 50 G 3.8579 7.7285 108.4370 47.4314 0.0000 174.7959 51 R 4.4175 8.5164 116.6757 55.5078 30.5410 176.3015 52 I 4.2660 7.4437 119.6201 59.5445 38.4181 175.3416 53 A 4.1347 8.9167 129.2703 54.9545 18.3317 178.0087 54 T 4.5094 7.4063 107.7385 58.3615 68.8811 171.0188 55 P 4.2543 0.0000 0.0000 63.2511 32.4012 176.7445 56 A 4.3667 8.3966 123.9264 51.2407 20.5319 178.2068 57 F 3.9295 8.8095 125.8083 61.7119 39.4597 177.8902 58 F 3.9137 8.0318 116.5133 60.4790 38.7404 177.8189 59 T 3.8698 7.8374 115.1562 66.6960 68.3848 176.7048 60 I 3.6377 7.7047 121.4949 64.1471 37.0979 178.2133 61 A 3.7316 7.7979 121.7492 55.1375 18.2247 179.6293 62 A 3.9141 7.7999 119.1754 55.1329 18.4503 180.1306 63 V 3.4872 7.8877 116.5893 65.9845 31.5604 178.0029 64 A 3.9800 8.3595 121.2464 55.1453 18.1952 179.7134 65 R 3.8243 8.0152 114.5295 59.5912 29.2097 179.1944 66 V 3.6178 7.4379 117.5126 65.2801 31.5660 177.0244 67 L 4.3285 7.6770 115.6471 53.5711 42.2995 176.1327 68 D 4.3557 7.7532 118.1205 55.5298 39.0150 173.4768 69 L 4.6578 7.9957 119.1064 52.9773 44.7011 175.8928 70 S 4.3762 8.4574 120.0694 57.8101 63.9514 174.9770 71 L 4.0439 8.5547 128.8348 58.0146 41.5767 179.3748 72 D 4.4388 8.0681 118.5447 57.4169 40.5978 178.3044 73 D 4.3931 7.6763 118.6538 57.1374 41.0192 178.8108 74 V 3.7076 7.7252 118.4343 66.0698 31.6802 178.0508 75 A 4.1310 8.5054 120.6250 55.0379 17.9268 179.1978 76 A 4.0037 7.7396 118.3343 55.4446 18.4348 179.6353 77 V 3.7844 7.5130 108.4647 62.0477 31.8432 176.2415 78 V 4.3618 6.9337 111.5300 59.3211 34.7253 174.7294 79 T 4.3199 7.7870 110.7192 59.7228 70.7994 173.7545 80 F 4.9021 8.1963 121.5835 56.8970 42.5493 176.2372 81 G 3.8442 8.8136 110.8987 43.7196 0.0000 170.6246 82 P 4.2704 0.0000 0.0000 63.0137 31.6318 177.0972 83 V 3.7689 8.4646 123.1963 64.3040 31.9561 176.2605 84 S 4.3710 8.0575 118.5608 58.4676 62.6419 173.8182 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 R 8.24 4.18 0.00 1.79 1.91 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 4 V 8.29 3.77 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 0.76 0.00 0.00 0.94 0.00 0.00 5 P 0.00 4.55 0.00 2.07 2.02 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 6 L 8.17 4.34 0.00 1.64 1.61 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.86 4.35 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 1.28 0.00 0.00 8 A 8.47 3.99 1.34 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 0.00 0.00 0.00 9 E 8.14 3.91 0.00 2.08 2.02 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 2.40 2.46 0.00 10 E 8.18 3.97 0.00 2.18 2.02 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 2.37 2.35 0.00 11 L 7.91 3.95 0.00 1.78 1.81 0.93 0.93 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 12 E 8.37 3.92 0.00 2.17 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 2.29 2.34 0.00 13 R 8.35 4.02 0.00 2.07 2.01 0.00 3.30 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 14 G 8.17 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 15 Q 8.34 4.02 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 16 R 8.29 4.00 0.00 1.97 1.97 0.00 3.10 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 17 L 8.20 4.04 0.00 1.83 1.89 0.93 0.92 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 18 G 8.06 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 0.00 0.00 0.00 19 E 8.33 3.97 0.00 2.21 2.02 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 2.33 2.55 0.00 20 L 8.08 3.94 0.00 2.06 1.72 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.08 3.96 0.00 1.86 1.69 0.91 0.67 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 22 R 8.36 4.01 0.00 1.94 2.14 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 23 S 8.11 4.12 0.00 4.01 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 24 A 8.09 4.12 1.33 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 0.00 0.00 25 R 8.18 3.96 0.00 1.88 2.13 0.00 3.43 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 26 G 8.31 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 0.00 0.00 0.00 27 D 8.49 4.53 0.00 2.68 2.65 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 *29 S 7.55 4.24 0.00 3.88 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 *31 V 8.29 4.07 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 0.95 0.00 0.00 0.94 0.00 0.00 32 T 8.02 3.94 4.39 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 1.28 0.00 0.00 33 V 7.88 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 34 A 8.02 4.00 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 35 F 8.67 4.13 0.00 3.12 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 36 D 8.33 4.13 0.00 2.74 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 37 A 7.99 4.26 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 38 G 7.63 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 39 I 7.87 4.67 1.88 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 1.35 0.78 0.90 0.00 0.00 40 S 8.18 4.55 0.00 4.09 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 41 V 8.22 3.62 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 0.93 0.00 0.00 0.96 0.00 0.00 42 E 8.24 3.97 0.00 2.02 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 0.00 2.41 2.37 0.00 43 T 8.11 3.87 4.38 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 1.22 0.00 0.00 44 L 7.96 3.95 0.00 1.78 1.81 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.49 3.86 0.00 1.94 2.22 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 46 K 8.13 4.01 0.00 2.07 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 47 I 8.30 3.69 2.01 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 1.52 1.16 0.91 0.00 0.00 48 E 8.83 4.24 0.00 2.15 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 0.00 2.33 2.49 0.00 49 T 7.60 4.62 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 1.24 0.00 0.00 50 G 7.73 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 51 R 8.52 4.42 0.00 1.75 1.96 0.00 3.16 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 52 I 7.44 4.27 1.88 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 1.36 0.80 0.93 0.00 0.00 53 A 8.92 4.13 1.29 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 0.00 0.00 54 T 7.41 4.51 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 1.23 0.00 0.00 55 P 0.00 4.25 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.88 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 56 A 8.40 4.37 1.34 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 0.00 0.00 0.00 57 F 8.81 3.93 0.00 2.93 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 58 F 8.03 3.91 0.00 3.21 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 59 T 7.84 3.87 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 1.20 0.00 0.00 60 I 7.70 3.64 1.69 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 1.62 0.79 0.83 0.00 0.00 61 A 7.80 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.80 3.91 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 63 V 7.89 3.49 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 0.99 0.00 0.00 0.98 0.00 0.00 64 A 8.36 3.98 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 65 R 8.02 3.82 0.00 2.09 2.18 0.00 2.81 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 66 V 7.44 3.62 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 0.86 0.00 0.00 0.96 0.00 0.00 67 L 7.68 4.33 0.00 1.66 1.67 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.75 4.36 0.00 2.79 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 69 L 8.00 4.66 0.00 1.52 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.46 4.38 0.00 3.93 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 71 L 8.55 4.04 0.00 1.75 1.74 0.77 1.02 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 72 D 8.07 4.44 0.00 2.70 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 73 D 7.68 4.39 0.00 2.81 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 74 V 7.73 3.71 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 1.02 0.00 0.00 0.98 0.00 0.00 75 A 8.51 4.13 1.52 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 76 A 7.74 4.00 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 77 V 7.51 3.78 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 78 V 6.93 4.36 1.68 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 0.66 0.00 0.00 0.70 0.00 0.00 79 T 7.79 4.32 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 1.10 0.00 0.00 80 F 8.20 4.90 0.00 3.03 2.87 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 0.00 0.00 0.00 81 G 8.81 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 0.00 0.00 0.00 82 P 0.00 4.27 0.00 2.06 2.04 0.00 3.71 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 2.04 2.10 0.00 83 V 8.46 3.77 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 0.73 0.00 0.00 0.92 0.00 0.00 84 S 8.06 4.37 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.