#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fd4 n LEU 435 N 0.00 3.79 -3.82 -0.35 4.77 -1.26 -5.01 117.00 115.12 2fd4 n LEU 435 Ca 0.00 1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 57.02 2fd4 n LEU 435 Cb 0.00 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.47 2fd4 n LEU 435 CO 0.00 -0.55 -0.19 0.00 -1.33 0.00 0.00 177.39 175.32 2fd4 s ALA 436 N -1.15 -0.38 0.24 -1.18 0.00 -1.26 -5.14 121.76 112.90 2fd4 s ALA 436 Ca 0.58 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2fd4 s ALA 436 Cb -0.54 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 2fd4 s ALA 436 CO 0.60 -0.07 1.02 0.00 0.00 0.00 0.00 175.76 177.31 2fd4 s ALA 437 N 0.10 3.36 -0.44 0.00 0.00 -1.26 -5.03 121.76 118.50 2fd4 s ALA 437 Ca -0.00 0.75 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 2fd4 s ALA 437 Cb -0.01 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.87 2fd4 s ALA 437 CO 0.00 0.02 0.43 -1.17 0.00 0.00 0.00 175.76 175.04 2fd4 s LEU 438 N -1.16 5.08 0.11 0.00 2.96 -1.26 -5.06 118.68 119.36 2fd4 s LEU 438 Ca 0.43 -0.89 -0.31 0.00 -0.22 0.00 0.00 54.13 53.15 2fd4 s LEU 438 Cb -0.29 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.02 2fd4 s LEU 438 CO 0.36 -0.62 1.27 -0.62 -1.32 0.00 0.00 176.35 175.41 2fd4 s ASP 439 N 2.09 6.99 0.60 3.68 -1.08 -1.26 -4.89 116.67 122.79 2fd4 s ASP 439 Ca 0.10 2.17 0.36 0.00 -0.52 0.00 0.00 52.55 54.66 2fd4 s ASP 439 Cb -0.19 -2.59 1.93 0.00 -1.46 0.00 0.00 42.92 40.61 2fd4 s ASP 439 CO 0.11 -0.52 2.22 -0.65 0.52 0.00 0.00 175.17 176.86 2fd4 h PRO 440 N 6.46 0.00 0.00 4.34 0.11 -1.99 -1.14 132.00 139.79 2fd4 h PRO 440 Ca -0.42 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 2fd4 h PRO 440 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2fd4 h PRO 440 CO 0.82 0.03 -1.37 -0.89 -0.21 0.00 0.00 178.00 176.38 2fd4 n ILE 441 N -3.35 1.50 0.25 4.15 5.41 -1.26 -4.52 119.36 121.53 2fd4 n ILE 441 Ca -0.02 -0.01 0.10 0.00 1.00 0.00 0.00 62.75 63.82 2fd4 n ILE 441 Cb 0.15 -2.19 0.64 0.00 -0.71 0.00 0.00 39.64 37.53 2fd4 n ILE 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2fd4 h ALA 442 N -0.94 1.43 0.00 -1.39 0.00 -1.84 -0.98 119.26 115.54 2fd4 h ALA 442 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2fd4 h ALA 442 Cb 1.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2fd4 h ALA 442 CO -0.14 0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 2fd4 n SER 443 N -3.89 0.29 -0.09 0.00 3.41 -0.43 -2.15 113.62 110.76 2fd4 n SER 443 Ca -0.02 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 2fd4 n SER 443 Cb 0.24 -0.65 0.59 0.00 -0.26 0.00 0.00 64.21 64.13 2fd4 n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fd4 n GLN 444 N -1.86 0.56 -0.18 4.33 6.02 -0.37 -4.40 117.38 121.48 2fd4 n GLN 444 Ca 0.01 -0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 56.79 2fd4 n GLN 444 Cb 0.10 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.90 2fd4 n GLN 444 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2fd4 h PHE 445 N 0.45 -0.52 0.00 1.08 3.57 -1.60 -1.23 116.94 118.69 2fd4 h PHE 445 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2fd4 h PHE 445 Cb 0.38 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.43 2fd4 h PHE 445 CO 0.00 -0.30 0.00 0.43 -2.23 0.00 0.00 178.31 176.21 2fd4 n SER 446 N -5.42 0.51 -0.54 0.41 7.64 -1.26 -2.46 113.62 112.50 2fd4 n SER 446 Ca 0.05 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.70 2fd4 n SER 446 Cb 0.33 -0.75 0.16 0.00 -1.01 0.00 0.00 64.21 62.93 2fd4 n SER 446 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fd4 n GLN 447 N -2.09 1.41 -2.05 1.43 6.02 -0.47 -5.00 117.38 116.62 2fd4 n GLN 447 Ca 0.02 -1.08 -0.34 0.00 -0.01 0.00 0.00 57.00 55.59 2fd4 n GLN 447 Cb 0.17 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 29.97 2fd4 n GLN 447 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2fd4 s LEU 448 N -2.34 3.59 0.68 1.08 1.43 -1.03 -5.00 118.68 117.09 2fd4 s LEU 448 Ca 0.24 2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 55.23 2fd4 s LEU 448 Cb 0.19 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 2fd4 s LEU 448 CO 0.48 -1.36 0.98 0.54 0.23 0.00 0.00 176.35 177.22 2fd4 n ARG 449 N -1.80 0.66 -4.43 1.70 1.74 -1.26 -4.69 116.66 108.57 2fd4 n ARG 449 Ca 0.11 0.28 -0.25 0.00 -0.77 0.00 0.00 57.85 57.21 2fd4 n ARG 449 Cb 0.52 -2.22 -0.10 0.00 -1.02 0.00 0.00 32.46 29.63 2fd4 n ARG 449 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2fd4 s THR 450 N -1.70 2.54 -0.04 0.55 -4.23 -1.26 -0.92 115.64 110.58 2fd4 s THR 450 Ca 0.75 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2fd4 s THR 450 Cb -0.37 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.21 2fd4 s THR 450 CO 0.48 -0.27 0.00 -0.63 -0.54 0.00 0.00 174.62 173.67 2fd4 s ILE 451 N -2.12 0.22 0.58 2.99 1.01 -0.68 -4.83 121.20 118.38 2fd4 s ILE 451 Ca 0.26 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 2fd4 s ILE 451 Cb -0.06 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2fd4 s ILE 451 CO 0.13 0.17 1.12 -0.44 0.00 0.00 0.00 174.94 175.92 2fd4 s SER 452 N 1.22 5.54 0.45 3.58 0.01 -1.26 -1.69 113.70 121.54 2fd4 s SER 452 Ca -0.07 2.09 0.22 0.00 1.31 0.00 0.00 55.95 59.50 2fd4 s SER 452 Cb -0.13 -2.57 1.21 0.00 0.21 0.00 0.00 66.02 64.74 2fd4 s SER 452 CO -0.02 -1.34 1.84 0.50 0.41 0.00 0.00 173.24 174.63 2fd4 h LYS 453 N 0.78 0.28 -5.37 12.44 3.64 0.27 -3.44 116.57 125.16 2fd4 h LYS 453 Ca -0.49 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.20 2fd4 h LYS 453 Cb 1.25 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 2fd4 h LYS 453 CO 0.56 0.18 1.39 0.00 -2.27 0.00 0.00 179.45 179.32 2fd4 s ALA 454 N -5.31 3.37 0.00 5.00 0.00 -1.26 -5.01 121.76 118.55 2fd4 s ALA 454 Ca -0.07 -2.83 0.00 0.00 0.00 0.00 0.00 51.96 49.05 2fd4 s ALA 454 Cb 0.23 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2fd4 s ALA 454 CO 0.79 -3.14 0.00 1.28 0.00 0.00 0.00 175.76 174.69 2fd4 n LEU 461 N 7.22 -1.57 -0.68 0.00 4.77 -1.26 -5.12 117.00 120.36 2fd4 n LEU 461 Ca 0.34 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 2fd4 n LEU 461 Cb 0.47 0.97 0.21 0.00 -2.33 0.00 0.00 43.42 42.74 2fd4 n LEU 461 CO 0.62 0.00 0.66 0.61 -1.33 0.00 0.00 177.39 177.96 2fd4 n GLY 462 N -0.58 3.95 3.68 -0.72 0.00 -1.26 -5.02 105.19 105.24 2fd4 n GLY 462 Ca 0.00 -0.92 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 2fd4 n GLY 462 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2fd4 n PHE 463 N -0.52 2.44 -3.85 1.61 7.35 -1.26 -4.77 117.46 118.46 2fd4 n PHE 463 Ca 0.18 -0.09 -0.30 0.00 -0.76 0.00 0.00 57.45 56.48 2fd4 n PHE 463 Cb 0.76 -2.70 -0.15 0.00 0.35 0.00 0.00 39.48 37.74 2fd4 n PHE 463 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2fd4 s LYS 464 N 3.38 1.04 0.49 -4.13 1.02 -1.26 -4.97 119.74 115.31 2fd4 s LYS 464 Ca 0.87 -1.31 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 2fd4 s LYS 464 Cb -0.58 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 2fd4 s LYS 464 CO 0.44 -0.93 1.26 -3.47 -0.92 0.00 0.00 175.35 171.73 2fd4 n ASP 465 N 4.64 2.36 0.17 2.83 -0.08 -1.26 -0.97 116.55 124.24 2fd4 n ASP 465 Ca -0.01 1.02 -0.10 0.00 -1.51 0.00 0.00 54.79 54.19 2fd4 n ASP 465 Cb 0.42 -1.51 -0.06 0.00 2.34 0.00 0.00 41.12 42.32 2fd4 n ASP 465 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2fd4 h ALA 466 N 1.65 -0.98 0.00 -1.67 0.00 -1.28 -3.46 119.26 113.52 2fd4 h ALA 466 Ca -0.49 -0.11 -0.45 0.00 0.00 0.00 0.00 54.91 53.86 2fd4 h ALA 466 Cb 1.31 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.62 2fd4 h ALA 466 CO 0.58 -1.00 2.56 0.00 0.00 0.00 0.00 179.25 181.39 2fd4 n ALA 467 N -2.56 6.01 -2.68 0.00 0.00 -1.26 -5.02 120.51 115.00 2fd4 n ALA 467 Ca -0.07 -2.52 -0.10 0.00 0.00 0.00 0.00 53.44 50.76 2fd4 n ALA 467 Cb 0.26 -3.01 0.05 0.00 0.00 0.00 0.00 19.45 16.74 2fd4 n ALA 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fd4 n ASP 472 N 3.62 -4.83 0.00 0.00 9.92 -1.26 -5.20 116.55 118.80 2fd4 n ASP 472 Ca 0.57 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2fd4 n ASP 472 Cb 0.29 -3.61 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 2fd4 n ASP 472 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2fd4 n ASP 473 N -2.62 -0.41 -4.78 -2.24 -0.08 -1.26 -5.00 116.55 100.17 2fd4 n ASP 473 Ca -0.06 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.85 2fd4 n ASP 473 Cb 0.58 -0.07 -0.06 0.00 2.34 0.00 0.00 41.12 43.92 2fd4 n ASP 473 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2fd4 s VAL 474 N -3.71 4.00 0.21 5.18 1.01 -1.26 -4.71 120.40 121.11 2fd4 s VAL 474 Ca 0.00 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2fd4 s VAL 474 Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 2fd4 s VAL 474 CO 0.00 0.15 1.39 -0.89 0.00 0.00 0.00 175.10 175.75 2fd4 s THR 475 N -1.56 2.95 0.06 3.92 2.01 -0.14 -4.94 115.64 117.94 2fd4 s THR 475 Ca 0.51 0.76 0.02 0.00 0.31 0.00 0.00 61.69 63.29 2fd4 s THR 475 Cb -0.21 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2fd4 s THR 475 CO 0.27 0.11 0.11 -1.00 -0.69 0.00 0.00 174.62 173.41 2fd4 s HIS 476 N 0.25 3.28 0.60 4.92 3.76 -1.26 -1.09 115.29 125.75 2fd4 s HIS 476 Ca 0.60 0.14 -0.18 0.00 -0.15 0.00 0.00 55.06 55.47 2fd4 s HIS 476 Cb -0.39 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 2fd4 s HIS 476 CO 0.39 0.54 1.15 0.00 -0.85 0.00 0.00 174.74 175.98 2fd4 h LEU 478 N 0.75 0.00 -2.44 0.00 5.85 -1.85 -1.68 115.31 115.95 2fd4 h LEU 478 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2fd4 h LEU 478 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2fd4 h LEU 478 CO 0.55 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 179.14 2fd4 n PHE 479 N -4.06 0.58 0.00 1.25 3.72 -1.26 -5.03 117.46 112.66 2fd4 n PHE 479 Ca 0.10 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2fd4 n PHE 479 Cb 0.65 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 2fd4 n PHE 479 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fd4 n GLY 480 N 1.40 3.22 0.00 1.37 0.00 -0.63 -5.15 105.19 105.40 2fd4 n GLY 480 Ca 0.19 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2fd4 n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fd4 n GLY 481 N 0.36 0.34 3.77 -0.02 0.00 -1.26 -4.31 105.19 104.08 2fd4 n GLY 481 Ca 0.00 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2fd4 n GLY 481 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fd4 s GLU 482 N -3.36 3.71 -0.04 1.61 2.02 -1.26 0.28 118.70 121.65 2fd4 s GLU 482 Ca 0.00 1.67 -0.04 0.00 0.02 0.00 0.00 54.97 56.62 2fd4 s GLU 482 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2fd4 s GLU 482 CO 0.00 -0.57 0.17 -0.51 0.02 0.00 0.00 175.26 174.37 2fd4 s LEU 483 N -3.21 4.37 -0.17 1.80 1.43 -0.25 -4.72 118.68 117.93 2fd4 s LEU 483 Ca 0.65 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2fd4 s LEU 483 Cb -0.26 -2.44 0.05 0.00 0.03 0.00 0.00 46.19 43.57 2fd4 s LEU 483 CO 0.31 0.31 0.44 -0.55 0.23 0.00 0.00 176.35 177.09 2fd4 s SER 484 N -1.65 -0.50 0.15 2.29 0.15 -1.26 -0.79 113.70 112.09 2fd4 s SER 484 Ca 0.23 0.91 0.17 0.00 0.70 0.00 0.00 55.95 57.97 2fd4 s SER 484 Cb -0.12 0.88 0.77 0.00 -1.71 0.00 0.00 66.02 65.83 2fd4 s SER 484 CO 0.14 -0.17 1.53 0.18 1.20 0.00 0.00 173.24 176.12 2fd4 n LEU 485 N 3.36 0.35 -0.49 3.45 4.77 -1.26 -2.23 117.00 124.95 2fd4 n LEU 485 Ca -0.17 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 2fd4 n LEU 485 Cb 0.56 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2fd4 n LEU 485 CO 0.10 -0.51 0.34 -1.20 -1.33 0.00 0.00 177.39 174.79 2fd4 n SER 486 N -1.91 1.94 -4.62 -1.43 7.64 -1.26 -4.90 113.62 109.08 2fd4 n SER 486 Ca 0.02 -1.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.00 2fd4 n SER 486 Cb 0.15 0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2fd4 n SER 486 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2fd4 s ASN 487 N -1.90 6.49 0.50 6.43 3.84 -0.95 -4.89 114.94 124.47 2fd4 s ASN 487 Ca 0.16 1.10 0.34 0.00 0.21 0.00 0.00 52.86 54.68 2fd4 s ASN 487 Cb 0.14 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.10 2fd4 s ASN 487 CO 0.39 -1.25 2.04 1.55 -2.79 0.00 0.00 177.10 177.03 2fd4 h PRO 488 N 10.09 0.00 -0.07 0.43 0.13 -1.90 -2.70 132.00 137.98 2fd4 h PRO 488 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2fd4 h PRO 488 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2fd4 h PRO 488 CO 1.05 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.57 2fd4 n ASP 489 N -2.73 3.04 -4.76 1.44 8.00 -1.26 -4.94 116.55 115.34 2fd4 n ASP 489 Ca -0.02 -2.00 -0.31 0.00 0.71 0.00 0.00 54.79 53.18 2fd4 n ASP 489 Cb 0.09 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.10 2fd4 n ASP 489 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2fd4 s GLN 490 N -1.95 2.87 -0.49 -1.24 -0.21 -1.02 -4.95 119.66 112.67 2fd4 s GLN 490 Ca 0.29 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 55.02 2fd4 s GLN 490 Cb 0.20 -2.72 0.13 0.00 1.00 0.00 0.00 33.01 31.62 2fd4 s GLN 490 CO 0.30 0.57 0.24 -0.65 -2.12 0.00 0.00 175.29 173.64 2fd4 s GLN 491 N -2.29 1.97 -0.09 2.91 -0.21 -1.26 -4.92 119.66 115.77 2fd4 s GLN 491 Ca 0.28 -2.40 -0.30 0.00 0.02 0.00 0.00 55.36 52.96 2fd4 s GLN 491 Cb -0.12 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 2fd4 s GLN 491 CO 0.20 -1.08 1.24 0.08 -2.12 0.00 0.00 175.29 173.61 2fd4 s VAL 492 N 0.09 4.23 0.19 1.09 1.01 -1.26 -0.10 120.40 125.65 2fd4 s VAL 492 Ca 0.15 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2fd4 s VAL 492 Cb -0.23 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2fd4 s VAL 492 CO -0.03 -0.05 -0.08 0.27 0.00 0.00 0.00 175.10 175.21 2fd4 s ILE 493 N 2.73 1.26 -0.17 2.22 -4.36 -0.19 -1.94 121.20 120.76 2fd4 s ILE 493 Ca 0.56 -2.08 -0.07 0.00 -0.26 0.00 0.00 60.65 58.79 2fd4 s ILE 493 Cb -0.24 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 2fd4 s ILE 493 CO 0.19 -0.59 0.07 -0.83 0.24 0.00 0.00 174.94 174.02 2fd4 s GLY 494 N -3.25 1.93 -0.23 6.27 0.00 0.01 -0.81 107.32 111.25 2fd4 s GLY 494 Ca 0.21 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2fd4 s GLY 494 CO 0.04 -0.05 0.06 -2.27 0.00 0.00 0.00 173.10 170.89 2fd4 s LEU 495 N 0.10 3.47 0.59 0.66 2.96 0.78 -0.61 118.68 126.62 2fd4 s LEU 495 Ca 0.05 -0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 2fd4 s LEU 495 Cb -0.12 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 2fd4 s LEU 495 CO 0.01 0.01 1.03 0.00 -1.32 0.00 0.00 176.35 176.08 2fd4 s ALA 496 N 1.33 2.91 -0.39 5.97 0.00 -0.06 -0.43 121.76 131.08 2fd4 s ALA 496 Ca 0.05 0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.43 2fd4 s ALA 496 Cb -0.15 -3.16 0.24 0.00 0.00 0.00 0.00 23.12 20.06 2fd4 s ALA 496 CO 0.03 -0.65 1.40 0.78 0.00 0.00 0.00 175.76 177.33 2fd4 h GLY 497 N 0.31 0.00 -4.74 0.00 0.00 -1.88 -3.45 103.07 93.30 2fd4 h GLY 497 Ca -0.46 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.40 2fd4 h GLY 497 CO 0.59 0.00 -0.80 -1.31 0.00 0.00 0.00 176.54 175.02 2fd4 s ASN 498 N -5.75 1.78 0.41 0.19 0.01 -1.26 -4.97 114.94 105.35 2fd4 s ASN 498 Ca 0.04 -0.43 -0.22 0.00 -0.71 0.00 0.00 52.86 51.54 2fd4 s ASN 498 Cb 0.07 -0.13 -0.11 0.00 0.41 0.00 0.00 41.25 41.49 2fd4 s ASN 498 CO 0.71 0.08 0.95 -2.16 -1.51 0.00 0.00 177.10 175.17 2fd4 s PRO 499 N -1.00 4.29 0.03 -0.60 0.04 -1.26 -4.83 135.00 131.67 2fd4 s PRO 499 Ca 0.03 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 2fd4 s PRO 499 Cb -0.08 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2fd4 s PRO 499 CO 0.01 0.02 -0.03 -0.08 0.04 0.00 0.00 177.00 176.95 2fd4 s THR 500 N -2.04 0.19 0.38 1.26 -1.32 -0.66 -5.03 115.64 108.43 2fd4 s THR 500 Ca 0.60 -1.25 -0.24 0.00 -1.21 0.00 0.00 61.69 59.58 2fd4 s THR 500 Cb -0.12 -0.75 -0.12 0.00 -1.51 0.00 0.00 72.50 70.00 2fd4 s THR 500 CO 0.16 -0.67 0.79 -0.90 -2.21 0.00 0.00 174.62 171.78 2fd4 n ASP 501 N 1.04 0.22 -4.55 8.08 5.75 -1.26 -4.50 116.55 121.34 2fd4 n ASP 501 Ca -0.20 1.01 -0.23 0.00 -0.01 0.00 0.00 54.79 55.36 2fd4 n ASP 501 Cb 0.57 -1.22 -0.07 0.00 -1.03 0.00 0.00 41.12 39.37 2fd4 n ASP 501 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fd4 n THR 502 N -0.50 -0.03 -0.91 2.12 -2.24 -1.26 -2.40 114.28 109.05 2fd4 n THR 502 Ca 0.11 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2fd4 n THR 502 Cb 0.37 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 2fd4 n THR 502 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2fd4 n SER 503 N 16.51 -1.22 -4.75 3.42 2.88 -1.26 -5.08 113.62 124.12 2fd4 n SER 503 Ca 0.46 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.60 2fd4 n SER 503 Cb 0.44 -0.30 -0.05 0.00 -0.75 0.00 0.00 64.21 63.54 2fd4 n SER 503 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2fd4 s GLN 504 N -2.61 4.37 0.95 -1.46 -1.52 -1.01 -5.14 119.66 113.24 2fd4 s GLN 504 Ca 0.00 0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 54.13 2fd4 s GLN 504 Cb 0.00 -3.36 0.16 0.00 -0.22 0.00 0.00 33.01 29.60 2fd4 s GLN 504 CO 0.00 0.32 1.12 -2.14 -0.25 0.00 0.00 175.29 174.35 2fd4 s PRO 505 N -0.09 0.78 0.26 2.91 0.02 -1.26 -4.92 135.00 132.71 2fd4 s PRO 505 Ca 0.33 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.45 2fd4 s PRO 505 Cb -0.19 -1.71 -0.15 0.00 0.02 0.00 0.00 34.50 32.47 2fd4 s PRO 505 CO 0.19 -2.74 0.94 0.98 -0.33 0.00 0.00 177.00 176.04 2fd4 n TYR 506 N -4.29 0.97 -2.20 6.54 9.36 -1.26 -5.15 117.16 121.13 2fd4 n TYR 506 Ca 0.10 0.75 -0.02 0.00 3.32 0.00 0.00 57.90 62.05 2fd4 n TYR 506 Cb 0.53 -2.20 -0.03 0.00 -0.63 0.00 0.00 39.34 37.01 2fd4 n TYR 506 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2fd4 n SER 507 N 1.42 -0.11 -4.41 2.98 3.41 -1.26 -5.20 113.62 110.44 2fd4 n SER 507 Ca 0.11 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.39 2fd4 n SER 507 Cb 0.30 0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 2fd4 n SER 507 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fd4 s ASP 513 N -1.35 5.50 -0.06 4.04 -1.08 -1.26 -5.14 116.67 117.32 2fd4 s ASP 513 Ca 0.14 -0.62 -0.03 0.00 -0.52 0.00 0.00 52.55 51.51 2fd4 s ASP 513 Cb 0.16 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.59 2fd4 s ASP 513 CO -0.07 -0.22 0.07 -0.76 0.52 0.00 0.00 175.17 174.71 2fd4 s LEU 514 N 1.58 3.93 -0.23 -1.34 1.43 -1.26 -3.23 118.68 119.56 2fd4 s LEU 514 Ca 0.04 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 2fd4 s LEU 514 Cb -0.17 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2fd4 s LEU 514 CO 0.06 0.35 0.11 0.00 0.23 0.00 0.00 176.35 177.09 2fd4 s ALA 515 N -1.05 3.41 0.13 4.21 0.00 0.43 -4.87 121.76 124.02 2fd4 s ALA 515 Ca 0.18 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 2fd4 s ALA 515 Cb -0.12 -2.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 2fd4 s ALA 515 CO 0.07 -0.22 0.77 -0.06 0.00 0.00 0.00 175.76 176.33 2fd4 s PHE 516 N 1.11 3.85 0.19 0.00 0.08 -1.26 -0.16 117.98 121.80 2fd4 s PHE 516 Ca 0.06 1.58 -0.23 0.00 0.12 0.00 0.00 56.93 58.46 2fd4 s PHE 516 Cb -0.14 -2.78 0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2fd4 s PHE 516 CO 0.04 0.44 0.70 0.00 -0.10 0.00 0.00 175.22 176.30 2fd4 s MET 517 N -0.80 1.41 -0.30 0.44 0.23 0.01 -2.68 119.30 117.62 2fd4 s MET 517 Ca 0.37 -0.66 -0.28 0.00 -1.03 0.00 0.00 55.69 54.08 2fd4 s MET 517 Cb -0.22 0.56 0.01 0.00 -1.53 0.00 0.00 34.83 33.65 2fd4 s MET 517 CO 0.25 -0.63 1.04 0.34 -2.03 0.00 0.00 175.02 173.99 2fd4 s ASP 518 N -2.80 6.93 0.59 -1.18 2.15 -1.26 -1.02 116.67 120.08 2fd4 s ASP 518 Ca 0.06 1.06 0.32 0.00 0.43 0.00 0.00 52.55 54.42 2fd4 s ASP 518 Cb -0.03 -2.53 1.88 0.00 -0.30 0.00 0.00 42.92 41.94 2fd4 s ASP 518 CO -0.04 -0.82 2.25 -0.03 -0.17 0.00 0.00 175.17 176.36 2fd4 h MET 519 N 8.00 0.00 -0.60 4.34 1.85 -0.87 -0.48 114.93 127.17 2fd4 h MET 519 Ca -0.21 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 58.81 2fd4 h MET 519 Cb 1.06 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.07 2fd4 h MET 519 CO 1.01 0.01 0.11 0.87 -0.40 0.00 0.00 176.91 178.51 2fd4 h LYS 520 N 0.00 0.99 -0.19 0.39 1.79 -1.92 -0.01 116.57 117.62 2fd4 h LYS 520 Ca -0.00 -0.26 -0.20 0.00 -2.18 0.00 0.00 60.65 58.01 2fd4 h LYS 520 Cb 0.05 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2fd4 h LYS 520 CO 0.00 0.93 -0.66 0.87 -1.08 0.00 0.00 179.45 179.51 2fd4 h LYS 521 N 0.89 0.74 -0.21 3.15 1.79 -1.53 -2.80 116.57 118.60 2fd4 h LYS 521 Ca 0.18 -0.53 0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2fd4 h LYS 521 Cb 0.41 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2fd4 h LYS 521 CO 0.01 1.15 0.12 1.25 -1.08 0.00 0.00 179.45 180.91 2fd4 h LEU 522 N 0.54 0.21 -0.81 2.94 5.85 -1.11 -1.59 115.31 121.34 2fd4 h LEU 522 Ca -0.02 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2fd4 h LEU 522 Cb 1.27 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2fd4 h LEU 522 CO 0.14 0.15 0.51 0.00 -0.34 0.00 0.00 178.44 178.90 2fd4 h ALA 523 N 1.09 1.07 -0.49 1.25 0.00 -0.96 0.88 119.26 122.10 2fd4 h ALA 523 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2fd4 h ALA 523 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2fd4 h ALA 523 CO -0.03 0.30 0.28 0.37 0.00 0.00 0.00 179.25 180.17 2fd4 h GLN 524 N 0.97 0.68 -0.12 0.00 4.15 -1.32 -1.14 115.11 118.33 2fd4 h GLN 524 Ca 0.33 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2fd4 h GLN 524 Cb 0.06 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2fd4 h GLN 524 CO -0.13 0.52 0.07 0.35 -1.93 0.00 0.00 178.83 177.71 2fd4 h PHE 525 N 0.66 0.14 0.00 3.99 3.57 -0.77 -3.19 116.94 121.33 2fd4 h PHE 525 Ca 0.18 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2fd4 h PHE 525 Cb 0.02 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2fd4 h PHE 525 CO -0.02 0.08 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.91 2fd4 h LEU 526 N 0.15 0.00 -1.23 0.59 3.38 -0.65 -1.48 115.31 116.07 2fd4 h LEU 526 Ca 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2fd4 h LEU 526 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2fd4 h LEU 526 CO -0.02 0.16 -0.30 0.00 0.09 0.00 0.00 178.44 178.37 2fd4 h ALA 527 N 1.84 1.36 0.00 1.53 0.00 -1.20 -2.87 119.26 119.91 2fd4 h ALA 527 Ca -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2fd4 h ALA 527 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2fd4 h ALA 527 CO 0.02 0.45 -1.42 0.41 0.00 0.00 0.00 179.25 178.71 2fd4 n GLY 528 N -0.54 -1.22 2.89 0.00 0.00 -0.91 -4.82 105.19 100.59 2fd4 n GLY 528 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2fd4 n GLY 528 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fd4 s LYS 529 N -3.02 0.46 -1.45 1.61 2.20 -0.61 -5.07 119.74 113.85 2fd4 s LYS 529 Ca -0.03 -0.07 -0.14 0.00 -0.36 0.00 0.00 55.97 55.37 2fd4 s LYS 529 Cb 0.09 -0.38 0.04 0.00 -1.51 0.00 0.00 37.83 36.07 2fd4 s LYS 529 CO 0.81 -1.07 2.22 -0.35 -0.36 0.00 0.00 175.35 176.60 2fd4 n PRO 530 N 5.14 2.87 -3.76 4.03 -0.04 -1.10 -4.07 135.00 138.06 2fd4 n PRO 530 Ca 0.02 -2.63 -0.13 0.00 -0.04 0.00 0.00 63.50 60.73 2fd4 n PRO 530 Cb 0.49 -3.28 -0.11 0.00 -0.04 0.00 0.00 33.50 30.56 2fd4 n PRO 530 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2fd4 s GLU 531 N 3.15 0.41 0.22 0.54 -1.05 -1.22 -2.34 118.70 118.41 2fd4 s GLU 531 Ca 0.47 0.35 -0.32 0.00 -0.15 0.00 0.00 54.97 55.32 2fd4 s GLU 531 Cb 0.14 0.20 -0.13 0.00 -0.44 0.00 0.00 34.13 33.90 2fd4 s GLU 531 CO -0.09 -0.06 1.63 1.58 0.95 0.00 0.00 175.26 179.28 2fd4 n HIS 532 N 2.69 2.61 0.32 4.83 -0.00 0.16 -4.73 115.22 121.10 2fd4 n HIS 532 Ca -0.14 0.17 0.21 0.00 -0.00 0.00 0.00 57.72 57.96 2fd4 n HIS 532 Cb 0.58 -2.61 1.03 0.00 -0.00 0.00 0.00 29.99 28.98 2fd4 n HIS 532 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2fd4 h PRO 533 N 5.92 0.00 0.00 1.57 0.13 -1.95 -0.87 132.00 136.80 2fd4 h PRO 533 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2fd4 h PRO 533 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2fd4 h PRO 533 CO 0.89 0.01 -1.96 -1.33 -0.23 0.00 0.00 178.00 175.37 2fd4 n MET 534 N -3.13 0.54 0.04 0.86 2.81 -1.26 -4.76 117.12 112.22 2fd4 n MET 534 Ca -0.02 0.09 0.11 0.00 -1.81 0.00 0.00 57.70 56.07 2fd4 n MET 534 Cb 0.15 -1.34 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 2fd4 n MET 534 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2fd4 n THR 535 N -2.95 0.28 -1.30 2.03 -2.24 -1.23 -4.97 114.28 103.90 2fd4 n THR 535 Ca -0.29 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 60.91 2fd4 n THR 535 Cb 0.83 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2fd4 n THR 535 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fd4 n ARG 536 N -2.38 -1.29 -2.63 -0.78 1.74 -0.33 -4.94 116.66 106.05 2fd4 n ARG 536 Ca -0.01 0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 2fd4 n ARG 536 Cb 0.54 -5.01 -0.05 0.00 -1.02 0.00 0.00 32.46 26.92 2fd4 n ARG 536 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2fd4 s GLU 537 N -2.72 3.97 0.14 5.56 0.41 -1.26 -4.39 118.70 120.41 2fd4 s GLU 537 Ca 0.00 1.23 -0.35 0.00 -0.41 0.00 0.00 54.97 55.44 2fd4 s GLU 537 Cb 0.00 -2.13 -0.15 0.00 -1.78 0.00 0.00 34.13 30.07 2fd4 s GLU 537 CO 0.00 -0.27 1.44 2.41 -0.49 0.00 0.00 175.26 178.35 2fd4 n THR 538 N -0.91 0.15 -3.69 3.63 -1.04 -1.26 0.39 114.28 111.54 2fd4 n THR 538 Ca 0.08 -0.04 -0.14 0.00 -2.04 0.00 0.00 64.05 61.91 2fd4 n THR 538 Cb 0.53 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.72 2fd4 n THR 538 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2fd4 s LEU 539 N 0.65 0.11 0.00 -4.42 2.96 -0.99 -4.71 118.68 112.27 2fd4 s LEU 539 Ca 0.80 0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 55.11 2fd4 s LEU 539 Cb -0.80 0.54 0.02 0.00 0.50 0.00 0.00 46.19 46.46 2fd4 s LEU 539 CO 0.44 -0.21 0.36 -0.46 -1.32 0.00 0.00 176.35 175.15 2fd4 n ASN 540 N 4.87 -1.03 -0.17 3.68 0.23 -1.26 -3.40 115.26 118.18 2fd4 n ASN 540 Ca -0.14 -1.78 0.11 0.00 -0.53 0.00 0.00 54.58 52.24 2fd4 n ASN 540 Cb 0.51 1.74 0.43 0.00 -2.08 0.00 0.00 39.78 40.38 2fd4 n ASN 540 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2fd4 h ALA 541 N 1.96 1.91 -0.82 -2.53 0.00 -1.97 -1.53 119.26 116.28 2fd4 h ALA 541 Ca -0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2fd4 h ALA 541 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fd4 h ALA 541 CO 0.20 -0.07 0.37 0.93 0.00 0.00 0.00 179.25 180.67 2fd4 h GLU 542 N 0.57 1.20 0.00 0.00 3.07 -1.96 -3.33 114.58 114.14 2fd4 h GLU 542 Ca 0.34 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2fd4 h GLU 542 Cb 0.56 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2fd4 h GLU 542 CO -0.12 0.94 0.00 0.27 -1.40 0.00 0.00 179.01 178.70 2fd4 n ASN 543 N -4.30 1.63 0.09 1.42 6.94 -1.05 -4.78 115.26 115.20 2fd4 n ASN 543 Ca 0.08 -1.65 0.06 0.00 -0.02 0.00 0.00 54.58 53.05 2fd4 n ASN 543 Cb 0.16 0.00 0.51 0.00 -2.36 0.00 0.00 39.78 38.09 2fd4 n ASN 543 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2fd4 h ILE 544 N 0.04 1.05 0.00 1.53 6.09 -1.40 -1.13 117.51 123.69 2fd4 h ILE 544 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 2fd4 h ILE 544 Cb 0.34 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.31 2fd4 h ILE 544 CO 0.00 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 175.14 2fd4 h ALA 545 N 1.83 1.00 0.00 0.18 0.00 -1.86 0.23 119.26 120.64 2fd4 h ALA 545 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2fd4 h ALA 545 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2fd4 h ALA 545 CO -0.02 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.10 2fd4 h LYS 546 N 0.00 0.00 0.00 0.00 1.57 -1.43 -3.35 116.57 113.36 2fd4 h LYS 546 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2fd4 h LYS 546 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2fd4 h LYS 546 CO 0.00 0.00 -1.41 0.66 -0.57 0.00 0.00 179.45 178.13 2fd4 n TYR 547 N -2.44 0.00 -4.03 -1.35 4.01 0.00 -1.65 117.16 111.69 2fd4 n TYR 547 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 2fd4 n TYR 547 Cb 0.44 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 2fd4 n TYR 547 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2fd4 s ALA 548 N -2.17 3.68 -0.11 -0.72 0.00 0.61 -0.88 121.76 122.17 2fd4 s ALA 548 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2fd4 s ALA 548 Cb 0.02 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2fd4 s ALA 548 CO 0.25 0.60 -0.16 -0.06 0.00 0.00 0.00 175.76 176.39 2fd4 s PHE 549 N -0.95 2.09 -0.03 0.00 0.08 0.22 -4.37 117.98 115.03 2fd4 s PHE 549 Ca 0.14 -1.00 -0.30 0.00 0.12 0.00 0.00 56.93 55.90 2fd4 s PHE 549 Cb -0.12 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 2fd4 s PHE 549 CO 0.03 -0.50 1.06 0.50 -0.10 0.00 0.00 175.22 176.22 2fd4 s ARG 550 N 0.94 4.46 -0.18 0.44 3.52 -0.10 -0.81 118.95 127.23 2fd4 s ARG 550 Ca -0.07 1.52 -0.21 0.00 -0.13 0.00 0.00 55.73 56.84 2fd4 s ARG 550 Cb -0.15 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 2fd4 s ARG 550 CO -0.01 -0.23 0.63 0.42 -0.81 0.00 0.00 175.30 175.29 2fd4 s ILE 551 N 1.51 5.03 0.25 4.11 -1.09 -0.82 -1.69 121.20 128.50 2fd4 s ILE 551 Ca 0.53 1.19 0.11 0.00 -2.23 0.00 0.00 60.65 60.25 2fd4 s ILE 551 Cb -0.22 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2fd4 s ILE 551 CO 0.24 0.13 -0.13 0.68 -1.23 0.00 0.00 174.94 174.64 2fd4 s VAL 552 N 1.78 2.89 -2.00 2.92 -7.23 -0.68 -4.87 120.40 113.20 2fd4 s VAL 552 Ca 0.29 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2fd4 s VAL 552 Cb -0.16 -2.49 0.21 0.00 0.56 0.00 0.00 36.38 34.49 2fd4 s VAL 552 CO 0.11 -0.31 0.89 -2.65 -0.31 0.00 0.00 175.10 172.83