#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgl h ALA 424 N 0.00 0.82 0.00 5.20 0.00 -2.07 -1.87 119.26 121.34 3mgl h ALA 424 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3mgl h ALA 424 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3mgl h ALA 424 CO 0.00 0.88 0.00 -0.85 0.00 0.00 0.00 179.25 179.28 3mgl n GLU 425 N -3.71 0.00 0.00 0.00 0.28 -1.26 -0.58 120.64 115.37 3mgl n GLU 425 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3mgl n GLU 425 Cb 0.69 -0.95 0.00 0.00 1.43 0.00 0.00 31.44 32.62 3mgl n GLU 425 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3mgl n SER 427 N 0.21 0.00 -0.10 -1.84 2.88 -0.70 -2.30 113.62 111.77 3mgl n SER 427 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3mgl n SER 427 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3mgl n SER 427 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3mgl h TYR 428 N 0.00 0.63 -0.62 0.66 3.20 -1.15 -2.28 116.97 117.42 3mgl h TYR 428 Ca 0.00 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 3mgl h TYR 428 Cb 0.00 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3mgl h TYR 428 CO 0.00 0.77 0.01 0.93 -1.64 0.00 0.00 178.16 178.24 3mgl h GLU 429 N 0.30 1.08 -0.31 1.82 4.39 -1.72 -1.91 114.58 118.23 3mgl h GLU 429 Ca 0.07 -0.33 0.04 0.00 0.34 0.00 0.00 59.36 59.47 3mgl h GLU 429 Cb 0.58 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3mgl h GLU 429 CO 0.03 1.04 0.10 -0.07 -1.16 0.00 0.00 179.01 178.95 3mgl h LEU 430 N 0.98 0.09 -0.73 1.33 3.38 -1.81 -2.68 115.31 115.88 3mgl h LEU 430 Ca 0.18 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mgl h LEU 430 Cb 0.54 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3mgl h LEU 430 CO 0.03 0.09 0.46 0.00 0.09 0.00 0.00 178.44 179.10 3mgl h ALA 431 N 1.21 0.93 -0.58 1.53 0.00 -1.11 0.14 119.26 121.39 3mgl h ALA 431 Ca 0.14 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3mgl h ALA 431 Cb 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3mgl h ALA 431 CO -0.16 0.39 0.40 1.96 0.00 0.00 0.00 179.25 181.84 3mgl h GLN 432 N 1.00 0.24 -0.60 0.00 1.08 -1.12 -0.01 115.11 115.70 3mgl h GLN 432 Ca 0.27 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3mgl h GLN 432 Cb -0.06 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3mgl h GLN 432 CO -0.05 0.16 0.00 0.72 -0.95 0.00 0.00 178.83 178.71 3mgl n HIS 433 N -4.44 0.79 -0.86 2.96 8.25 -0.64 -4.95 115.22 116.33 3mgl n HIS 433 Ca 0.10 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3mgl n HIS 433 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 3mgl n HIS 433 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgl n GLY 434 N 1.53 0.55 3.63 -1.41 0.00 -0.02 -5.04 105.19 104.43 3mgl n GLY 434 Ca 0.21 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3mgl n GLY 434 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgl s ARG 435 N -0.41 2.25 -0.03 1.61 0.52 0.41 -4.96 118.95 118.34 3mgl s ARG 435 Ca 0.00 -1.34 0.08 0.00 -0.52 0.00 0.00 55.73 53.95 3mgl s ARG 435 Cb 0.00 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.17 3mgl s ARG 435 CO 0.00 0.40 0.12 -1.13 0.02 0.00 0.00 175.30 174.71 3mgl n SER 436 N -0.54 3.15 -4.44 0.23 3.41 -1.26 -2.51 113.62 111.66 3mgl n SER 436 Ca -0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.28 3mgl n SER 436 Cb 0.57 1.13 -0.11 0.00 -0.26 0.00 0.00 64.21 65.55 3mgl n SER 436 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mgl s THR 437 N -2.43 2.37 0.20 6.66 -4.23 -1.26 -5.01 115.64 111.94 3mgl s THR 437 Ca -0.03 -2.25 -0.31 0.00 -1.18 0.00 0.00 61.69 57.92 3mgl s THR 437 Cb 0.04 -2.21 -0.11 0.00 1.34 0.00 0.00 72.50 71.57 3mgl s THR 437 CO 0.33 -0.31 1.57 -0.76 -0.54 0.00 0.00 174.62 174.91 3mgl s LEU 438 N -3.18 4.37 0.59 4.79 1.43 -1.26 -4.97 118.68 120.45 3mgl s LEU 438 Ca 0.26 2.71 -0.17 0.00 -1.03 0.00 0.00 54.13 55.89 3mgl s LEU 438 Cb -0.06 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3mgl s LEU 438 CO 0.12 -0.84 1.10 -2.16 0.23 0.00 0.00 176.35 174.80 3mgl s PRO 439 N 0.67 3.21 0.47 1.29 0.04 -1.26 -4.90 135.00 134.53 3mgl s PRO 439 Ca 0.68 1.42 0.28 0.00 0.04 0.00 0.00 61.00 63.42 3mgl s PRO 439 Cb -0.45 -2.00 1.35 0.00 0.04 0.00 0.00 34.50 33.44 3mgl s PRO 439 CO 0.36 -0.93 1.78 -0.09 0.04 0.00 0.00 177.00 178.16 3mgl h ARG 440 N 0.67 0.17 0.00 4.56 2.43 -2.04 -1.25 114.38 118.93 3mgl h ARG 440 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3mgl h ARG 440 Cb 1.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3mgl h ARG 440 CO 0.56 0.11 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 3mgl n GLU 441 N -4.41 0.02 -5.18 0.20 4.71 -1.26 -4.70 120.64 110.03 3mgl n GLU 441 Ca 0.26 0.14 -0.32 0.00 -0.01 0.00 0.00 57.16 57.23 3mgl n GLU 441 Cb 1.10 -1.53 -0.17 0.00 -1.01 0.00 0.00 31.44 29.83 3mgl n GLU 441 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3mgl s LEU 442 N -3.14 2.15 0.14 -4.62 2.96 -0.47 -0.87 118.68 114.83 3mgl s LEU 442 Ca 0.10 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 3mgl s LEU 442 Cb 0.14 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3mgl s LEU 442 CO 0.41 0.18 -0.22 0.00 -1.32 0.00 0.00 176.35 175.40 3mgl s ALA 443 N 0.23 2.07 -0.05 5.97 0.00 0.08 -4.71 121.76 125.35 3mgl s ALA 443 Ca -0.15 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.41 3mgl s ALA 443 Cb -0.17 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3mgl s ALA 443 CO 0.08 0.36 -0.09 0.08 0.00 0.00 0.00 175.76 176.19 3mgl s VAL 444 N -1.49 0.89 -0.01 0.00 1.01 -1.26 -0.53 120.40 119.01 3mgl s VAL 444 Ca 0.13 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3mgl s VAL 444 Cb -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3mgl s VAL 444 CO 0.06 0.30 -0.04 -0.47 0.00 0.00 0.00 175.10 174.95 3mgl s TYR 445 N 0.66 0.40 -0.13 5.22 5.04 0.43 -4.96 117.35 124.01 3mgl s TYR 445 Ca -0.12 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 3mgl s TYR 445 Cb -0.14 -0.30 -0.01 0.00 0.35 0.00 0.00 41.96 41.85 3mgl s TYR 445 CO 0.02 -0.04 -0.14 0.00 -1.34 0.00 0.00 175.55 174.05 3mgl s ALA 446 N 0.16 2.57 -0.15 3.97 0.00 -1.26 -0.68 121.76 126.37 3mgl s ALA 446 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 3mgl s ALA 446 Cb -0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 3mgl s ALA 446 CO -0.00 0.25 1.05 -0.51 0.00 0.00 0.00 175.76 176.54 3mgl s LEU 447 N 0.36 4.20 -0.28 0.00 1.43 -0.94 -4.96 118.68 118.48 3mgl s LEU 447 Ca -0.12 1.52 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 3mgl s LEU 447 Cb -0.16 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.52 3mgl s LEU 447 CO 0.06 -0.56 0.03 -1.61 0.23 0.00 0.00 176.35 174.51 3mgl s GLU 448 N 2.53 3.00 0.01 1.70 2.02 -1.26 -4.22 118.70 122.47 3mgl s GLU 448 Ca 0.48 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3mgl s GLU 448 Cb -0.18 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.81 3mgl s GLU 448 CO 0.14 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.40 3mgl n GLY 449 N 4.80 -2.03 0.13 -1.39 0.00 -0.79 -4.31 105.19 101.61 3mgl n GLY 449 Ca -0.15 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.51 3mgl n GLY 449 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mgl n PRO 450 N -2.49 0.22 -2.98 1.61 -0.04 -1.26 -3.62 135.00 126.44 3mgl n PRO 450 Ca -0.00 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 3mgl n PRO 450 Cb 0.01 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 3mgl n PRO 450 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3mgl n PHE 451 N -2.28 3.28 1.61 0.54 3.72 -1.26 -4.80 117.46 118.27 3mgl n PHE 451 Ca 0.03 -3.39 0.05 0.00 -0.05 0.00 0.00 57.45 54.09 3mgl n PHE 451 Cb 0.27 -0.84 0.20 0.00 -0.94 0.00 0.00 39.48 38.17 3mgl n PHE 451 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 3mgl n PHE 452 N 0.35 0.15 0.01 1.38 1.16 -1.24 -4.50 117.46 114.76 3mgl n PHE 452 Ca 0.34 -0.07 -0.10 0.00 -1.87 0.00 0.00 57.45 55.74 3mgl n PHE 452 Cb 0.35 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.17 3mgl n PHE 452 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 3mgl h PHE 453 N 0.81 -0.09 -0.58 2.97 0.04 -1.93 0.19 116.94 118.35 3mgl h PHE 453 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3mgl h PHE 453 Cb 0.18 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3mgl h PHE 453 CO 0.07 -0.07 0.31 0.00 -0.60 0.00 0.00 178.31 178.03 3mgl h ALA 454 N 1.05 0.75 -0.34 2.45 0.00 -2.00 -1.00 119.26 120.17 3mgl h ALA 454 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mgl h ALA 454 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mgl h ALA 454 CO -0.11 0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.60 3mgl h ALA 455 N 1.14 0.44 -0.55 0.00 0.00 -1.80 -2.46 119.26 116.02 3mgl h ALA 455 Ca 0.20 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3mgl h ALA 455 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3mgl h ALA 455 CO -0.03 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.44 3mgl h ALA 456 N 1.03 0.71 -0.30 0.00 0.00 -0.09 -2.06 119.26 118.54 3mgl h ALA 456 Ca 0.12 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3mgl h ALA 456 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3mgl h ALA 456 CO -0.02 -0.15 0.14 1.49 0.00 0.00 0.00 179.25 180.71 3mgl h GLU 457 N 0.44 0.29 -0.38 0.00 4.81 -1.02 -0.49 114.58 118.24 3mgl h GLU 457 Ca 0.27 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3mgl h GLU 457 Cb 0.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3mgl h GLU 457 CO -0.24 0.19 -0.20 1.15 -0.73 0.00 0.00 179.01 179.18 3mgl h THR 458 N 0.30 1.27 -0.13 0.32 2.02 -1.13 -1.75 112.91 113.80 3mgl h THR 458 Ca 0.13 -1.28 -0.23 0.00 0.77 0.00 0.00 66.41 65.80 3mgl h THR 458 Cb 0.06 1.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3mgl h THR 458 CO -0.10 0.43 -0.80 0.15 0.37 0.00 0.00 175.52 175.57 3mgl h PHE 459 N 0.64 1.07 -0.72 3.16 3.57 -1.02 -0.23 116.94 123.41 3mgl h PHE 459 Ca 0.09 -0.49 0.13 0.00 3.53 0.00 0.00 57.97 61.24 3mgl h PHE 459 Cb 0.69 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.18 3mgl h PHE 459 CO 0.03 1.32 0.27 1.49 -2.23 0.00 0.00 178.31 179.19 3mgl h GLU 460 N 0.51 0.41 -0.01 1.11 4.81 -1.07 -2.86 114.58 117.48 3mgl h GLU 460 Ca -0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3mgl h GLU 460 Cb 1.44 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 3mgl h GLU 460 CO 0.17 0.27 0.00 -0.09 -0.73 0.00 0.00 179.01 178.63 3mgl h ARG 461 N 0.42 0.01 -1.06 1.92 2.43 -0.69 -1.98 114.38 115.43 3mgl h ARG 461 Ca 0.39 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 3mgl h ARG 461 Cb 0.57 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3mgl h ARG 461 CO -0.39 0.16 0.00 0.28 -1.51 0.00 0.00 179.97 178.52 3mgl n VAL 462 N -5.01 0.00 0.00 0.20 0.31 -0.15 -1.19 118.33 112.49 3mgl n VAL 462 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3mgl n VAL 462 Cb 0.10 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3mgl n VAL 462 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mgl n GLY 464 N 0.73 0.00 0.13 2.92 0.00 -0.74 -0.93 105.19 107.30 3mgl n GLY 464 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3mgl n GLY 464 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mgl n SER 465 N 0.00 2.05 -4.75 1.61 2.88 -0.33 -4.94 113.62 110.14 3mgl n SER 465 Ca 0.00 0.04 -0.37 0.00 -1.33 0.00 0.00 58.87 57.22 3mgl n SER 465 Cb 0.00 -0.64 0.04 0.00 -0.75 0.00 0.00 64.21 62.86 3mgl n SER 465 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3mgl s ILE 466 N -2.54 2.36 0.13 2.46 -4.36 -0.11 -4.95 121.20 114.20 3mgl s ILE 466 Ca -0.29 0.23 -0.03 0.00 -0.26 0.00 0.00 60.65 60.31 3mgl s ILE 466 Cb 0.08 -3.10 -0.18 0.00 1.25 0.00 0.00 42.46 40.51 3mgl s ILE 466 CO 0.68 -0.04 1.31 -0.61 0.24 0.00 0.00 174.94 176.52 3mgl h GLN 467 N 0.95 0.34 -5.01 0.37 5.75 -1.92 -3.43 115.11 112.16 3mgl h GLN 467 Ca -0.51 -0.38 -0.66 0.00 -0.15 0.00 0.00 58.65 56.95 3mgl h GLN 467 Cb 1.31 0.11 -0.35 0.00 1.07 0.00 0.00 27.48 29.62 3mgl h GLN 467 CO 0.55 1.07 -0.86 -2.00 -2.65 0.00 0.00 178.83 174.95 3mgl s GLU 468 N -3.21 2.85 0.12 1.69 2.12 -1.26 -5.12 118.70 115.89 3mgl s GLU 468 Ca -0.05 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3mgl s GLU 468 Cb 0.09 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 3mgl s GLU 468 CO 0.86 -0.16 0.14 0.95 -0.54 0.00 0.00 175.26 176.51 3mgl s THR 469 N 1.20 4.74 0.71 -1.70 -4.23 -1.26 -5.11 115.64 109.98 3mgl s THR 469 Ca 0.02 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 3mgl s THR 469 Cb -0.14 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.36 3mgl s THR 469 CO -0.10 0.02 1.07 -2.16 -0.54 0.00 0.00 174.62 172.91 3mgl s PRO 470 N -2.77 2.81 0.11 3.99 0.04 -1.26 -4.97 135.00 132.95 3mgl s PRO 470 Ca 0.31 0.90 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 3mgl s PRO 470 Cb -0.11 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 3mgl s PRO 470 CO 0.24 -1.17 1.24 0.37 0.04 0.00 0.00 177.00 177.72 3mgl h GLN 471 N -0.77 0.36 -4.52 4.56 4.15 -1.29 -3.42 115.11 114.19 3mgl h GLN 471 Ca -0.44 -0.47 -0.45 0.00 0.77 0.00 0.00 58.65 58.06 3mgl h GLN 471 Cb 1.22 0.15 -0.32 0.00 0.21 0.00 0.00 27.48 28.74 3mgl h GLN 471 CO 0.57 1.16 -0.79 0.42 -1.93 0.00 0.00 178.83 178.26 3mgl s ILE 472 N -3.03 0.84 -0.14 2.39 1.01 -0.39 -1.60 121.20 120.28 3mgl s ILE 472 Ca -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3mgl s ILE 472 Cb 0.08 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 3mgl s ILE 472 CO 0.88 0.27 -0.13 -0.22 0.00 0.00 0.00 174.94 175.74 3mgl s LEU 473 N 0.41 2.71 -0.24 2.97 2.96 0.14 -0.74 118.68 126.88 3mgl s LEU 473 Ca -0.07 -0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 3mgl s LEU 473 Cb -0.11 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3mgl s LEU 473 CO 0.01 0.15 0.31 -0.63 -1.32 0.00 0.00 176.35 174.88 3mgl s ILE 474 N 0.44 5.24 -0.40 6.68 1.01 0.31 -0.34 121.20 134.14 3mgl s ILE 474 Ca -0.10 0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 3mgl s ILE 474 Cb -0.16 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.68 3mgl s ILE 474 CO 0.05 0.24 0.34 -0.76 0.00 0.00 0.00 174.94 174.80 3mgl s LEU 475 N 1.60 4.95 -0.19 2.97 1.43 0.15 -0.43 118.68 129.16 3mgl s LEU 475 Ca 0.14 -0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 52.23 3mgl s LEU 475 Cb -0.15 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3mgl s LEU 475 CO 0.08 -0.46 0.87 -0.13 0.23 0.00 0.00 176.35 176.94 3mgl s ARG 476 N 1.84 4.28 0.00 1.70 0.52 0.14 -1.60 118.95 125.83 3mgl s ARG 476 Ca 0.08 1.08 0.12 0.00 -0.52 0.00 0.00 55.73 56.49 3mgl s ARG 476 Cb -0.18 -3.59 0.31 0.00 0.52 0.00 0.00 34.95 32.01 3mgl s ARG 476 CO 0.11 -0.40 1.24 1.28 0.02 0.00 0.00 175.30 177.54 3mgl n LEU 477 N 5.51 2.92 -0.18 2.53 4.77 0.97 -2.23 117.00 131.30 3mgl n LEU 477 Ca 0.06 -1.86 0.18 0.00 -0.03 0.00 0.00 56.01 54.36 3mgl n LEU 477 Cb 0.48 -0.23 0.54 0.00 -2.33 0.00 0.00 43.42 41.89 3mgl n LEU 477 CO 0.49 0.71 1.22 0.50 -1.33 0.00 0.00 177.39 178.98 3mgl h LYS 478 N 2.34 0.33 -0.55 3.23 3.64 -1.67 -1.56 116.57 122.33 3mgl h LYS 478 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3mgl h LYS 478 Cb 0.73 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3mgl h LYS 478 CO 0.00 0.22 0.00 0.91 -2.27 0.00 0.00 179.45 178.31 3mgl n TRP 479 N -4.46 0.82 -3.55 1.91 8.01 -1.26 -4.77 117.44 114.14 3mgl n TRP 479 Ca 0.16 -0.37 -0.41 0.00 -1.31 0.00 0.00 57.50 55.56 3mgl n TRP 479 Cb 0.63 -0.07 -0.09 0.00 -2.01 0.00 0.00 31.31 29.77 3mgl n TRP 479 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3mgl s VAL 480 N -1.47 4.50 0.11 -0.99 1.01 -0.59 -1.88 120.40 121.09 3mgl s VAL 480 Ca 0.35 -1.31 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3mgl s VAL 480 Cb 0.20 -3.73 -0.16 0.00 0.00 0.00 0.00 36.38 32.68 3mgl s VAL 480 CO 0.21 -0.52 1.33 1.55 0.00 0.00 0.00 175.10 177.67 3mgl h PRO 481 N 8.50 0.00 0.00 2.72 0.13 -1.86 -3.42 132.00 138.07 3mgl h PRO 481 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3mgl h PRO 481 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mgl h PRO 481 CO 0.79 0.91 0.00 1.97 -0.23 0.00 0.00 178.00 181.44 3mgl n PHE 482 N -3.39 0.00 -4.20 1.56 1.16 -1.26 -4.72 117.46 106.61 3mgl n PHE 482 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.41 3mgl n PHE 482 Cb 0.88 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.69 3mgl n PHE 482 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3mgl n ASP 484 N 0.00 -0.86 -0.07 5.98 5.68 -1.26 -4.78 116.55 121.24 3mgl n ASP 484 Ca 0.00 -3.01 0.24 0.00 -0.50 0.00 0.00 54.79 51.52 3mgl n ASP 484 Cb 0.00 1.84 0.71 0.00 -1.14 0.00 0.00 41.12 42.53 3mgl n ASP 484 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3mgl h ILE 485 N 2.01 0.66 -0.16 2.12 2.10 -2.04 -0.93 117.51 121.26 3mgl h ILE 485 Ca -0.23 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.61 3mgl h ILE 485 Cb 1.14 0.66 -0.00 0.00 -1.09 0.00 0.00 36.82 37.53 3mgl h ILE 485 CO 0.33 0.00 -0.27 0.71 -1.08 0.00 0.00 178.15 177.84 3mgl h THR 486 N 0.00 1.35 -0.32 2.19 1.35 -2.02 -2.20 112.91 113.26 3mgl h THR 486 Ca 0.32 -1.51 -0.07 0.00 -0.55 0.00 0.00 66.41 64.60 3mgl h THR 486 Cb 1.30 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 3mgl h THR 486 CO -0.00 0.45 -0.11 1.23 -0.25 0.00 0.00 175.52 176.84 3mgl h GLY 487 N 0.09 0.60 0.73 5.82 0.00 -1.69 -1.91 103.07 106.71 3mgl h GLY 487 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3mgl h GLY 487 CO 0.06 0.38 -0.01 -2.22 0.00 0.00 0.00 176.54 174.75 3mgl h ILE 488 N 0.51 1.17 -0.26 2.60 1.08 -1.16 -0.05 117.51 121.40 3mgl h ILE 488 Ca 0.09 -0.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.88 3mgl h ILE 488 Cb 0.50 1.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 3mgl h ILE 488 CO 0.03 0.16 -0.09 1.56 -0.69 0.00 0.00 178.15 179.11 3mgl h GLN 489 N -0.31 0.43 -0.61 2.37 4.20 -1.42 0.16 115.11 119.93 3mgl h GLN 489 Ca -0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3mgl h GLN 489 Cb 0.29 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3mgl h GLN 489 CO 0.01 0.53 0.26 1.15 -0.67 0.00 0.00 178.83 180.11 3mgl h THR 490 N 0.41 1.23 -0.09 -0.54 2.02 -1.22 -1.28 112.91 113.43 3mgl h THR 490 Ca 0.08 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 3mgl h THR 490 Cb 0.42 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3mgl h THR 490 CO 0.02 0.27 -0.29 0.25 0.37 0.00 0.00 175.52 176.14 3mgl h LEU 491 N 0.85 0.42 -0.20 2.58 5.85 -0.44 -3.17 115.31 121.19 3mgl h LEU 491 Ca 0.21 -0.61 0.05 0.00 0.84 0.00 0.00 57.88 58.36 3mgl h LEU 491 Cb 0.18 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3mgl h LEU 491 CO -0.02 0.96 -0.47 -0.08 -0.34 0.00 0.00 178.44 178.49 3mgl h GLU 492 N -0.09 -0.46 -0.42 1.25 4.81 -0.69 -0.75 114.58 118.22 3mgl h GLU 492 Ca -0.01 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3mgl h GLU 492 Cb 0.92 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3mgl h GLU 492 CO 0.06 -0.31 0.00 -1.91 -0.73 0.00 0.00 179.01 176.12 3mgl n GLU 493 N -5.43 0.00 0.00 1.92 2.13 -0.49 -0.97 120.64 117.80 3mgl n GLU 493 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 3mgl n GLU 493 Cb 0.36 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3mgl n GLU 493 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3mgl n ILE 495 N 0.49 0.00 -0.27 6.31 5.41 -0.29 -1.71 119.36 129.30 3mgl n ILE 495 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3mgl n ILE 495 Cb 0.00 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.07 3mgl n ILE 495 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3mgl h GLN 496 N 0.00 0.77 -0.78 0.38 4.20 -1.30 -0.59 115.11 117.79 3mgl h GLN 496 Ca 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3mgl h GLN 496 Cb 0.00 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 3mgl h GLN 496 CO 0.00 0.51 0.47 0.77 -0.67 0.00 0.00 178.83 179.91 3mgl h SER 497 N 0.79 0.93 -0.19 1.46 0.02 -1.60 -2.34 113.55 112.62 3mgl h SER 497 Ca 0.36 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 61.07 3mgl h SER 497 Cb 0.26 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.57 3mgl h SER 497 CO -0.21 0.71 -0.60 -0.26 -1.14 0.00 0.00 176.83 175.33 3mgl h PHE 498 N 1.07 0.98 -0.42 3.45 0.04 -1.64 -3.21 116.94 117.22 3mgl h PHE 498 Ca 0.28 -0.40 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3mgl h PHE 498 Cb -0.05 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3mgl h PHE 498 CO 0.00 1.21 0.19 0.45 -0.60 0.00 0.00 178.31 179.56 3mgl h HIS 499 N 0.47 0.57 0.00 -0.55 3.86 -0.98 -1.57 115.15 116.95 3mgl h HIS 499 Ca -0.02 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3mgl h HIS 499 Cb 1.23 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 3mgl h HIS 499 CO 0.09 0.43 -0.09 1.57 0.86 0.00 0.00 177.93 180.79 3mgl h LYS 500 N 0.58 0.00 -0.23 2.45 2.10 -1.43 -2.20 116.57 117.85 3mgl h LYS 500 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 3mgl h LYS 500 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3mgl h LYS 500 CO -0.02 0.09 0.00 0.54 -2.00 0.00 0.00 179.45 178.06 3mgl n ARG 501 N -3.19 1.69 -0.78 0.07 1.74 -0.95 -4.92 116.66 110.31 3mgl n ARG 501 Ca 0.01 -1.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 3mgl n ARG 501 Cb 0.41 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3mgl n ARG 501 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgl n GLY 502 N 1.05 0.58 3.68 -0.13 0.00 -0.83 -5.00 105.19 104.54 3mgl n GLY 502 Ca 0.13 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3mgl n GLY 502 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgl s ILE 503 N -2.00 5.02 -0.03 -0.61 1.01 -0.63 -4.91 121.20 119.05 3mgl s ILE 503 Ca 0.00 1.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.64 3mgl s ILE 503 Cb 0.00 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3mgl s ILE 503 CO 0.00 0.15 0.91 -0.75 0.00 0.00 0.00 174.94 175.25 3mgl s LYS 504 N 1.62 4.52 -0.14 2.79 2.20 -0.63 -3.93 119.74 126.16 3mgl s LYS 504 Ca 0.31 1.28 -0.02 0.00 -0.36 0.00 0.00 55.97 57.18 3mgl s LYS 504 Cb -0.16 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3mgl s LYS 504 CO 0.12 -0.04 -0.07 0.08 -0.36 0.00 0.00 175.35 175.08 3mgl s VAL 505 N 1.04 3.62 0.03 4.02 1.01 -1.26 -0.69 120.40 128.18 3mgl s VAL 505 Ca 0.48 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3mgl s VAL 505 Cb -0.20 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3mgl s VAL 505 CO 0.25 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 175.02 3mgl s LEU 506 N 0.28 3.13 -0.08 3.92 1.02 0.54 -4.91 118.68 122.58 3mgl s LEU 506 Ca -0.05 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 53.90 3mgl s LEU 506 Cb -0.15 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 3mgl s LEU 506 CO 0.04 0.25 -0.12 -0.63 0.02 0.00 0.00 176.35 175.91 3mgl s ILE 507 N -1.06 3.19 0.05 -0.59 1.01 -0.62 0.33 121.20 123.52 3mgl s ILE 507 Ca 0.18 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3mgl s ILE 507 Cb -0.11 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3mgl s ILE 507 CO 0.09 0.57 -0.05 -0.94 0.00 0.00 0.00 174.94 174.61 3mgl s SER 508 N -0.41 0.66 -0.21 3.58 1.04 -0.63 -0.33 113.70 117.42 3mgl s SER 508 Ca 0.05 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3mgl s SER 508 Cb -0.12 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3mgl s SER 508 CO 0.02 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3mgl n GLY 509 N 0.85 0.53 3.71 7.32 0.00 -0.84 -0.02 105.19 116.74 3mgl n GLY 509 Ca -0.19 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3mgl n GLY 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgl n ALA 510 N 1.04 1.87 -1.01 4.61 0.00 -1.26 -2.96 120.51 122.80 3mgl n ALA 510 Ca -0.02 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 3mgl n ALA 510 Cb 0.14 -2.38 0.26 0.00 0.00 0.00 0.00 19.45 17.46 3mgl n ALA 510 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mgl s ASN 511 N 0.48 0.41 0.32 0.00 2.20 -1.26 -4.61 114.94 112.48 3mgl s ASN 511 Ca 0.68 0.53 0.00 0.00 -0.94 0.00 0.00 52.86 53.13 3mgl s ASN 511 Cb -0.58 -0.69 0.52 0.00 -2.00 0.00 0.00 41.25 38.51 3mgl s ASN 511 CO 0.47 -4.43 1.95 -1.28 -2.94 0.00 0.00 177.10 170.87 3mgl h SER 512 N -2.79 0.80 0.15 3.54 0.87 -1.97 0.22 113.55 114.36 3mgl h SER 512 Ca -0.42 -0.06 -0.31 0.00 -1.23 0.00 0.00 61.79 59.78 3mgl h SER 512 Cb 1.29 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3mgl h SER 512 CO 0.28 0.63 -1.54 0.08 -0.53 0.00 0.00 176.83 175.76 3mgl h ARG 513 N 0.91 0.31 -0.81 2.24 0.11 -1.92 -3.10 114.38 112.12 3mgl h ARG 513 Ca 0.23 -0.53 0.05 0.00 0.10 0.00 0.00 59.98 59.82 3mgl h ARG 513 Cb 0.01 0.20 -0.05 0.00 1.11 0.00 0.00 29.97 31.24 3mgl h ARG 513 CO -0.04 1.26 0.53 0.28 0.10 0.00 0.00 179.97 182.09 3mgl h VAL 514 N -0.13 1.10 -0.43 0.08 2.07 -1.83 -1.67 116.25 115.44 3mgl h VAL 514 Ca -0.32 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 66.95 3mgl h VAL 514 Cb 1.90 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3mgl h VAL 514 CO 0.11 0.17 0.05 0.28 0.02 0.00 0.00 177.57 178.21 3mgl h SER 515 N 0.95 -0.06 -0.73 0.57 0.02 -0.62 -0.19 113.55 113.49 3mgl h SER 515 Ca 0.33 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.30 3mgl h SER 515 Cb 0.11 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3mgl h SER 515 CO -0.10 0.00 0.20 1.56 -1.14 0.00 0.00 176.83 177.35 3mgl h GLN 516 N 0.18 1.16 -0.70 3.45 4.20 -1.36 -2.87 115.11 119.16 3mgl h GLN 516 Ca 0.21 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3mgl h GLN 516 Cb 0.29 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3mgl h GLN 516 CO -0.31 1.00 0.42 0.87 -0.67 0.00 0.00 178.83 180.14 3mgl h LYS 517 N 1.10 0.96 -0.74 1.46 1.79 -0.84 -1.35 116.57 118.95 3mgl h LYS 517 Ca 0.23 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3mgl h LYS 517 Cb 0.34 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 3mgl h LYS 517 CO -0.00 0.68 0.45 -0.07 -1.08 0.00 0.00 179.45 179.44 3mgl h LEU 518 N 0.96 0.89 0.44 2.94 3.38 -0.91 -0.72 115.31 122.28 3mgl h LEU 518 Ca 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3mgl h LEU 518 Cb -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3mgl h LEU 518 CO -0.05 0.68 -0.21 0.58 0.09 0.00 0.00 178.44 179.53 3mgl h VAL 519 N 1.01 0.54 -0.58 1.22 2.07 -1.32 -1.59 116.25 117.61 3mgl h VAL 519 Ca 0.27 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3mgl h VAL 519 Cb -0.05 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3mgl h VAL 519 CO -0.05 0.05 0.38 0.11 0.02 0.00 0.00 177.57 178.08 3mgl h LYS 520 N -0.77 0.56 -0.01 1.57 1.57 -1.01 -2.66 116.57 115.83 3mgl h LYS 520 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mgl h LYS 520 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3mgl h LYS 520 CO 0.10 0.37 -0.15 0.00 -0.57 0.00 0.00 179.45 179.20 3mgl n ALA 521 N -2.48 2.87 -0.62 3.86 0.00 -0.30 -4.95 120.51 118.89 3mgl n ALA 521 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3mgl n ALA 521 Cb 0.21 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3mgl n ALA 521 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgl n GLY 522 N 1.27 0.67 0.22 0.00 0.00 -1.00 -4.96 105.19 101.40 3mgl n GLY 522 Ca 0.15 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3mgl n GLY 522 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mgl h ILE 523 N 0.00 1.29 -0.58 -0.61 1.08 -1.53 -1.67 117.51 115.50 3mgl h ILE 523 Ca 0.00 -1.87 -0.09 0.00 -0.39 0.00 0.00 64.86 62.51 3mgl h ILE 523 Cb 0.00 1.91 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 3mgl h ILE 523 CO 0.00 0.60 0.01 0.58 -0.69 0.00 0.00 178.15 178.65 3mgl h VAL 524 N 0.52 1.26 -0.46 1.67 2.07 -1.82 -1.10 116.25 118.39 3mgl h VAL 524 Ca -0.03 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3mgl h VAL 524 Cb 1.29 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3mgl h VAL 524 CO 0.14 0.40 0.17 0.50 0.02 0.00 0.00 177.57 178.81 3mgl h LYS 525 N 0.90 0.34 -0.45 1.57 3.64 -1.85 0.55 116.57 121.27 3mgl h LYS 525 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3mgl h LYS 525 Cb 0.53 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3mgl h LYS 525 CO 0.03 0.23 0.28 1.25 -2.27 0.00 0.00 179.45 178.96 3mgl h LEU 526 N 0.35 0.53 0.00 5.20 5.85 -0.56 -3.22 115.31 123.46 3mgl h LEU 526 Ca 0.21 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3mgl h LEU 526 Cb 0.20 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3mgl h LEU 526 CO -0.21 0.42 -1.15 1.33 -0.34 0.00 0.00 178.44 178.48 3mgl n VAL 527 N -4.75 0.74 0.00 1.05 0.24 -0.49 -5.08 118.33 110.05 3mgl n VAL 527 Ca 0.01 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3mgl n VAL 527 Cb 0.04 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 3mgl n VAL 527 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mgl n GLY 528 N 1.24 1.22 0.38 7.63 0.00 0.19 -4.62 105.19 111.23 3mgl n GLY 528 Ca -0.03 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.75 3mgl n GLY 528 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mgl h GLU 529 N 0.00 0.61 0.00 1.61 5.08 -1.89 -0.99 114.58 119.00 3mgl h GLU 529 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3mgl h GLU 529 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3mgl h GLU 529 CO 0.00 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 3mgl n GLN 530 N -4.62 0.06 -0.16 2.33 0.00 -1.26 -2.68 117.38 111.04 3mgl n GLN 530 Ca 0.21 0.14 0.11 0.00 0.00 0.00 0.00 57.00 57.45 3mgl n GLN 530 Cb 0.60 -1.58 0.19 0.00 0.00 0.00 0.00 30.24 29.45 3mgl n GLN 530 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3mgl n ASN 531 N -1.68 3.29 -4.56 2.61 3.02 -0.38 -4.91 115.26 112.65 3mgl n ASN 531 Ca 0.05 -1.95 -0.34 0.00 -0.03 0.00 0.00 54.58 52.31 3mgl n ASN 531 Cb 0.30 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 3mgl n ASN 531 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mgl s VAL 532 N -1.45 4.39 -0.07 2.41 1.01 -1.09 -1.58 120.40 124.01 3mgl s VAL 532 Ca 0.35 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3mgl s VAL 532 Cb 0.21 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3mgl s VAL 532 CO 0.29 0.46 -0.14 -0.31 0.00 0.00 0.00 175.10 175.40 3mgl s TYR 533 N 0.48 1.64 0.55 5.22 2.02 0.56 -4.98 117.35 122.84 3mgl s TYR 533 Ca 0.01 -0.61 0.22 0.00 -0.37 0.00 0.00 57.07 56.32 3mgl s TYR 533 Cb -0.13 -1.17 1.49 0.00 -0.40 0.00 0.00 41.96 41.75 3mgl s TYR 533 CO 0.02 -0.29 2.16 -1.35 -1.57 0.00 0.00 175.55 174.52 3mgl h PRO 534 N 6.86 0.00 -4.12 -1.71 0.11 -1.94 -2.23 132.00 128.97 3mgl h PRO 534 Ca -0.29 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 3mgl h PRO 534 Cb 1.19 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 3mgl h PRO 534 CO 0.47 0.00 -0.74 0.08 -0.21 0.00 0.00 178.00 177.61 3mgl s VAL 535 N -4.89 0.27 0.27 3.15 1.01 -1.26 -2.79 120.40 116.16 3mgl s VAL 535 Ca -0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3mgl s VAL 535 Cb 0.17 -0.26 0.26 0.00 0.00 0.00 0.00 36.38 36.54 3mgl s VAL 535 CO 0.63 -0.03 1.76 0.15 0.00 0.00 0.00 175.10 177.60 3mgl h PHE 536 N 5.77 0.82 -0.49 5.22 3.57 -1.89 -2.37 116.94 127.57 3mgl h PHE 536 Ca -0.28 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.20 3mgl h PHE 536 Cb 1.20 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3mgl h PHE 536 CO 0.46 0.17 0.06 1.49 -2.23 0.00 0.00 178.31 178.26 3mgl h GLU 537 N 0.63 0.76 -0.45 1.11 4.81 -1.96 -0.16 114.58 119.32 3mgl h GLU 537 Ca 0.50 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3mgl h GLU 537 Cb 0.74 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3mgl h GLU 537 CO -0.38 0.73 0.26 0.78 -0.73 0.00 0.00 179.01 179.67 3mgl h GLY 538 N 0.95 0.66 1.01 1.92 0.00 -1.85 -0.34 103.07 105.42 3mgl h GLY 538 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3mgl h GLY 538 CO 0.01 0.27 0.40 0.00 0.00 0.00 0.00 176.54 177.22 3mgl h ALA 539 N 1.11 0.97 -0.10 3.60 0.00 -1.13 -1.26 119.26 122.46 3mgl h ALA 539 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3mgl h ALA 539 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3mgl h ALA 539 CO -0.03 0.50 -0.18 1.25 0.00 0.00 0.00 179.25 180.79 3mgl h LEU 540 N 1.05 0.33 -0.15 0.00 5.85 -0.94 -0.53 115.31 120.92 3mgl h LEU 540 Ca 0.26 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.48 3mgl h LEU 540 Cb 0.06 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3mgl h LEU 540 CO -0.04 0.82 -0.34 -1.28 -0.34 0.00 0.00 178.44 177.27 3mgl h SER 541 N -0.15 -1.05 -0.95 1.25 0.87 -1.04 0.23 113.55 112.71 3mgl h SER 541 Ca 0.00 0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3mgl h SER 541 Cb 0.77 0.45 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 3mgl h SER 541 CO 0.04 -0.37 0.61 0.00 -0.53 0.00 0.00 176.83 176.59 3mgl h ALA 542 N 0.39 1.49 -0.33 6.23 0.00 -1.18 -1.52 119.26 124.35 3mgl h ALA 542 Ca 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mgl h ALA 542 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3mgl h ALA 542 CO -0.37 0.36 -0.04 0.00 0.00 0.00 0.00 179.25 179.20 3mgl h ALA 543 N 1.50 0.44 -0.65 0.00 0.00 -0.61 -1.27 119.26 118.67 3mgl h ALA 543 Ca 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mgl h ALA 543 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3mgl h ALA 543 CO -0.17 0.24 0.23 -0.07 0.00 0.00 0.00 179.25 179.48 3mgl h LEU 544 N 0.39 0.90 -0.18 0.00 3.38 -0.66 -1.43 115.31 117.70 3mgl h LEU 544 Ca 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3mgl h LEU 544 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3mgl h LEU 544 CO 0.02 0.82 0.02 0.74 0.09 0.00 0.00 178.44 180.13 3mgl h THR 545 N 0.95 1.24 -0.86 0.22 2.02 -1.20 -2.30 112.91 112.98 3mgl h THR 545 Ca 0.22 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3mgl h THR 545 Cb 0.23 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 3mgl h THR 545 CO -0.01 0.24 0.56 -0.08 0.37 0.00 0.00 175.52 176.60 3mgl h GLU 546 N 0.09 1.10 -0.51 6.66 4.81 -1.09 -2.36 114.58 123.27 3mgl h GLU 546 Ca 0.05 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3mgl h GLU 546 Cb 0.35 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3mgl h GLU 546 CO 0.01 0.73 0.15 0.82 -0.73 0.00 0.00 179.01 179.98 3mgl h ILE 547 N 1.13 1.23 -0.74 2.32 2.04 -1.18 -2.83 117.51 119.48 3mgl h ILE 547 Ca 0.32 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3mgl h ILE 547 Cb -0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3mgl h ILE 547 CO -0.09 0.29 0.49 -0.33 0.00 0.00 0.00 178.15 178.52 3mgl h GLU 548 N 0.70 0.92 0.00 2.37 5.08 -1.21 -2.78 114.58 119.65 3mgl h GLU 548 Ca 0.16 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3mgl h GLU 548 Cb 0.29 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3mgl h GLU 548 CO -0.00 0.61 -0.16 0.00 -1.00 0.00 0.00 179.01 178.46 3mgl h ALA 549 N 1.56 1.01 -0.00 3.43 0.00 -1.19 -3.52 119.26 120.54 3mgl h ALA 549 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mgl h ALA 549 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mgl h ALA 549 CO -0.07 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.37