#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 -4.04 -1.21 -3.46 7.64 -1.26 -4.56 113.62 106.73 1f55 n SER 2 Ca 0.00 0.18 0.14 0.00 1.01 0.00 0.00 58.87 60.20 1f55 n SER 2 Cb 0.00 -3.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.71 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f55 n ASN 3 N -1.78 -6.26 0.00 6.43 4.13 -1.26 -4.91 115.26 111.61 1f55 n ASN 3 Ca -0.15 0.85 0.00 0.00 1.68 0.00 0.00 54.58 56.96 1f55 n ASN 3 Cb 0.61 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f55 n LEU 4 N -3.79 0.00 0.00 3.41 4.32 -1.26 -4.53 117.00 115.14 1f55 n LEU 4 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1f55 n LEU 4 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1f55 n LEU 4 CO 0.02 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.54 1f55 n THR 5 N 0.00 0.00 -0.52 -5.08 -2.24 -1.26 -0.76 114.28 104.41 1f55 n THR 5 Ca 0.00 0.00 0.42 0.00 -2.27 0.00 0.00 64.05 62.20 1f55 n THR 5 Cb 0.00 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 68.95 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.04 -0.11 -0.78 4.11 -1.97 0.83 114.58 116.69 1f55 h GLU 6 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1f55 h GLU 6 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f55 h GLU 6 CO 0.00 0.03 0.02 1.49 0.07 0.00 0.00 179.01 180.62 1f55 h GLU 7 N 0.04 0.19 -0.13 1.06 4.22 -1.24 0.12 114.58 118.84 1f55 h GLU 7 Ca 0.84 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 60.18 1f55 h GLU 7 Cb 2.96 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 32.19 1f55 h GLU 7 CO -0.26 0.37 -0.13 -0.56 -2.18 0.00 0.00 179.01 176.25 1f55 h GLN 8 N -0.03 0.32 0.28 1.92 3.07 0.98 -2.76 115.11 118.90 1f55 h GLN 8 Ca 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 1f55 h GLN 8 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 1f55 h GLN 8 CO 0.00 0.71 -0.36 0.82 0.09 0.00 0.00 178.83 180.09 1f55 h ILE 9 N -0.05 0.00 -0.88 1.86 2.04 -0.70 0.33 117.51 120.10 1f55 h ILE 9 Ca 0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1f55 h ILE 9 Cb 0.65 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.57 1f55 h ILE 9 CO 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.12 1f55 h ALA 10 N -1.06 0.86 -0.36 1.87 0.00 -0.82 0.66 119.26 120.41 1f55 h ALA 10 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.60 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1f55 h ALA 10 CO -0.09 -0.46 0.18 1.49 0.00 0.00 0.00 179.25 180.37 1f55 h GLU 11 N 0.04 0.52 -0.08 0.00 4.22 -1.07 -2.80 114.58 115.41 1f55 h GLU 11 Ca 0.48 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.87 1f55 h GLU 11 Cb 0.88 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1f55 h GLU 11 CO -0.84 0.46 -0.01 0.74 -2.18 0.00 0.00 179.01 177.18 1f55 h PHE 12 N 0.45 -0.03 -0.75 0.92 0.04 0.41 -2.53 116.94 115.45 1f55 h PHE 12 Ca 0.13 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.02 1f55 h PHE 12 Cb 0.11 0.03 -0.13 0.00 2.20 0.00 0.00 35.95 38.15 1f55 h PHE 12 CO -0.02 -0.03 -0.39 0.87 -0.60 0.00 0.00 178.31 178.15 1f55 h LYS 13 N 0.01 -0.11 -0.82 1.51 1.57 -0.04 1.07 116.57 119.77 1f55 h LYS 13 Ca 0.04 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1f55 h LYS 13 Cb 0.05 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 1f55 h LYS 13 CO -0.08 -0.07 0.36 1.49 -0.57 0.00 0.00 179.45 180.58 1f55 h GLU 14 N -0.11 0.47 -0.07 3.15 4.57 -1.22 -0.87 114.58 120.50 1f55 h GLU 14 Ca 0.26 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1f55 h GLU 14 Cb 0.56 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1f55 h GLU 14 CO -0.80 0.31 -0.03 0.00 -1.18 0.00 0.00 179.01 177.31 1f55 h ALA 15 N 1.59 0.10 -0.06 2.92 0.00 0.11 -2.74 119.26 121.18 1f55 h ALA 15 Ca 0.46 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 15 Cb 0.73 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1f55 h ALA 15 CO -0.42 -0.16 -0.25 0.35 0.00 0.00 0.00 179.25 178.77 1f55 h PHE 16 N -0.22 -0.73 -0.85 0.00 3.57 0.17 -0.97 116.94 117.91 1f55 h PHE 16 Ca 0.02 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.73 1f55 h PHE 16 Cb 0.46 0.33 -0.16 0.00 2.79 0.00 0.00 35.95 39.37 1f55 h PHE 16 CO 0.06 -0.25 -0.10 0.00 -2.23 0.00 0.00 178.31 175.80 1f55 h ALA 17 N -0.93 0.75 -0.93 2.41 0.00 -1.32 0.76 119.26 120.00 1f55 h ALA 17 Ca 0.01 0.31 0.27 0.00 0.00 0.00 0.00 54.91 55.50 1f55 h ALA 17 Cb 0.31 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1f55 h ALA 17 CO -0.19 -0.44 0.31 1.25 0.00 0.00 0.00 179.25 180.18 1f55 h LEU 18 N 0.03 0.08 0.02 0.00 5.85 -0.87 0.13 115.31 120.56 1f55 h LEU 18 Ca 0.45 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 59.38 1f55 h LEU 18 Cb 0.77 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1f55 h LEU 18 CO -0.82 -0.20 -0.01 -0.26 -0.34 0.00 0.00 178.44 176.81 1f55 h PHE 19 N 0.19 -0.02 -2.79 1.25 0.04 0.94 -3.43 116.94 113.12 1f55 h PHE 19 Ca 0.63 -0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.85 1f55 h PHE 19 Cb 1.35 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 1f55 h PHE 19 CO -0.22 0.46 0.94 0.34 -0.60 0.00 0.00 178.31 179.23 1f55 s ASP 20 N -5.66 6.77 0.00 2.17 2.15 0.47 -3.66 116.67 118.91 1f55 s ASP 20 Ca -0.16 2.16 0.15 0.00 0.43 0.00 0.00 52.55 55.13 1f55 s ASP 20 Cb 0.02 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.54 1f55 s ASP 20 CO 0.66 -0.81 1.36 0.29 -0.17 0.00 0.00 175.17 176.50 1f55 n LYS 21 N 6.03 1.86 0.00 4.34 4.76 -1.26 -3.83 118.16 130.06 1f55 n LYS 21 Ca 0.15 -1.33 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 1f55 n LYS 21 Cb 0.43 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f55 n ASP 22 N 0.57 0.80 -1.85 4.39 8.00 -1.26 -5.00 116.55 122.20 1f55 n ASP 22 Ca 0.14 -0.31 -0.19 0.00 0.71 0.00 0.00 54.79 55.14 1f55 n ASP 22 Cb 0.33 0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 42.18 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f55 n ASN 23 N -0.86 -5.39 -1.05 -2.24 3.02 -1.25 -4.84 115.26 102.64 1f55 n ASN 23 Ca 0.00 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.74 1f55 n ASN 23 Cb 0.00 -4.50 0.10 0.00 -0.61 0.00 0.00 39.78 34.78 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -1.38 2.67 -0.69 6.41 5.03 -1.26 -4.79 115.26 121.25 1f55 n ASN 24 Ca -0.21 -2.34 -0.09 0.00 0.87 0.00 0.00 54.58 52.81 1f55 n ASN 24 Cb 0.65 -0.57 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.14 0.90 3.06 7.41 0.00 -1.26 -4.92 105.19 110.51 1f55 n GLY 25 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.37 0.07 0.07 1.61 0.15 -1.26 -2.88 113.70 109.09 1f55 s SER 26 Ca 0.00 -0.24 0.07 0.00 0.70 0.00 0.00 55.95 56.47 1f55 s SER 26 Cb 0.00 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1f55 s SER 26 CO 0.00 -0.32 -0.18 -0.63 1.20 0.00 0.00 173.24 173.31 1f55 s ILE 27 N -1.25 1.47 0.00 6.45 1.01 0.15 -4.75 121.20 124.28 1f55 s ILE 27 Ca -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1f55 s ILE 27 Cb -0.08 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1f55 s ILE 27 CO 0.01 0.01 0.00 -0.24 0.00 0.00 0.00 174.94 174.72 1f55 n SER 28 N 1.54 1.24 0.00 3.58 2.88 -1.26 -0.87 113.62 120.73 1f55 n SER 28 Ca -0.19 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 1f55 n SER 28 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1f55 n SER 28 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f55 n SER 29 N -1.17 0.00 -0.13 -3.46 3.41 -1.20 -2.43 113.62 108.63 1f55 n SER 29 Ca 0.00 0.82 -0.04 0.00 -0.26 0.00 0.00 58.87 59.39 1f55 n SER 29 Cb 0.00 -0.42 0.04 0.00 -0.26 0.00 0.00 64.21 63.57 1f55 n SER 29 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1f55 h SER 30 N 0.00 0.09 -0.23 4.04 4.64 -1.94 -2.33 113.55 117.82 1f55 h SER 30 Ca 0.00 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1f55 h SER 30 Cb 0.00 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1f55 h SER 30 CO 0.00 0.09 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.54 1f55 h GLU 31 N 0.27 -0.05 -0.92 4.77 5.08 -1.87 0.87 114.58 122.74 1f55 h GLU 31 Ca 0.20 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.73 1f55 h GLU 31 Cb 0.22 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1f55 h GLU 31 CO -0.23 -0.03 0.59 1.25 -1.00 0.00 0.00 179.01 179.59 1f55 h LEU 32 N -0.05 0.63 -0.29 1.33 6.46 -1.34 0.55 115.31 122.59 1f55 h LEU 32 Ca 0.04 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1f55 h LEU 32 Cb 0.15 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1f55 h LEU 32 CO -0.24 0.29 0.00 0.00 -0.62 0.00 0.00 178.44 177.87 1f55 n ALA 33 N -2.43 1.92 0.23 1.25 0.00 0.98 -2.79 120.51 119.68 1f55 n ALA 33 Ca 0.19 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.75 1f55 n ALA 33 Cb 0.54 -1.39 0.51 0.00 0.00 0.00 0.00 19.45 19.10 1f55 n ALA 33 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f55 h THR 34 N 0.00 0.50 0.00 0.00 2.02 0.60 -2.46 112.91 113.57 1f55 h THR 34 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1f55 h THR 34 Cb 0.46 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1f55 h THR 34 CO 0.00 0.19 0.00 0.55 0.37 0.00 0.00 175.52 176.63 1f55 n VAL 35 N -3.38 0.00 0.97 3.16 3.14 -1.12 -2.82 118.33 118.28 1f55 n VAL 35 Ca -0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 1f55 n VAL 35 Cb 0.40 -0.61 0.59 0.00 -1.06 0.00 0.00 33.84 33.16 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1f55 n MET 36 N -0.99 0.02 -0.34 1.45 2.81 -0.93 -3.84 117.12 115.30 1f55 n MET 36 Ca 0.18 0.02 0.25 0.00 -1.81 0.00 0.00 57.70 56.33 1f55 n MET 36 Cb 0.08 -1.52 0.49 0.00 -0.71 0.00 0.00 33.22 31.56 1f55 n MET 36 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1f55 h ARG 37 N 0.00 0.30 0.00 0.03 0.11 -1.74 1.73 114.38 114.81 1f55 h ARG 37 Ca 0.00 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.88 1f55 h ARG 37 Cb 0.52 -0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 1f55 h ARG 37 CO 0.00 0.20 -1.08 0.66 0.10 0.00 0.00 179.97 179.85 1f55 h SER 38 N 0.31 0.00 0.00 0.08 4.64 -1.87 -3.41 113.55 113.30 1f55 h SER 38 Ca 0.73 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.05 1f55 h SER 38 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1f55 h SER 38 CO -0.58 0.75 -0.20 -0.11 -0.87 0.00 0.00 176.83 175.81 1f55 n LEU 39 N -3.14 0.40 -3.11 5.97 7.94 0.22 -4.99 117.00 120.29 1f55 n LEU 39 Ca -0.05 0.07 -0.06 0.00 -1.11 0.00 0.00 56.01 54.86 1f55 n LEU 39 Cb 0.87 -0.55 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 1f55 n LEU 39 CO 0.44 -0.45 0.02 -0.83 -1.11 0.00 0.00 177.39 175.46 1f55 s GLY 40 N -3.38 -0.84 0.00 -3.96 0.00 0.53 -5.06 107.32 94.60 1f55 s GLY 40 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1f55 s GLY 40 CO 0.09 3.37 0.00 -0.10 0.00 0.00 0.00 173.10 176.46 1f55 n LEU 41 N 3.78 0.00 -3.95 0.66 7.94 -0.42 -4.21 117.00 120.80 1f55 n LEU 41 Ca 0.15 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.79 1f55 n LEU 41 Cb 0.54 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 1f55 n LEU 41 CO 0.02 -0.96 -0.19 -0.24 -1.11 0.00 0.00 177.39 174.91 1f55 n SER 42 N -1.55 -0.79 -4.69 1.96 2.88 -1.26 -4.87 113.62 105.30 1f55 n SER 42 Ca 0.00 -0.98 -0.42 0.00 -1.33 0.00 0.00 58.87 56.14 1f55 n SER 42 Cb 0.00 -3.16 -0.03 0.00 -0.75 0.00 0.00 64.21 60.27 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f55 s PRO 43 N -6.53 4.34 0.25 -1.46 0.04 -1.26 -4.99 135.00 125.40 1f55 s PRO 43 Ca 0.09 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1f55 s PRO 43 Cb -0.05 -3.53 -0.09 0.00 0.04 0.00 0.00 34.50 30.87 1f55 s PRO 43 CO 0.88 -0.46 1.27 -1.12 0.04 0.00 0.00 177.00 177.62 1f55 s SER 44 N 1.52 6.93 0.23 6.66 0.01 -1.26 -4.56 113.70 123.23 1f55 s SER 44 Ca 0.58 2.45 0.03 0.00 1.31 0.00 0.00 55.95 60.32 1f55 s SER 44 Cb -0.27 -2.62 0.60 0.00 0.21 0.00 0.00 66.02 63.94 1f55 s SER 44 CO 0.24 -0.46 1.16 -1.84 0.41 0.00 0.00 173.24 172.75 1f55 n GLU 45 N 1.90 -0.06 -0.17 12.44 0.28 -1.26 0.14 120.64 133.91 1f55 n GLU 45 Ca 0.03 1.10 -0.03 0.00 -0.16 0.00 0.00 57.16 58.11 1f55 n GLU 45 Cb 0.43 -1.77 0.04 0.00 1.43 0.00 0.00 31.44 31.57 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f55 h ALA 46 N 1.48 0.33 0.05 -1.84 0.00 -1.98 0.92 119.26 118.22 1f55 h ALA 46 Ca 0.46 0.20 -0.23 0.00 0.00 0.00 0.00 54.91 55.35 1f55 h ALA 46 Cb 0.99 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1f55 h ALA 46 CO -0.69 -0.45 -1.06 0.93 0.00 0.00 0.00 179.25 177.98 1f55 h GLU 47 N -0.01 0.13 0.23 0.00 5.08 0.92 -2.02 114.58 118.90 1f55 h GLU 47 Ca 0.25 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1f55 h GLU 47 Cb 0.40 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1f55 h GLU 47 CO -0.55 1.07 -0.11 0.28 -1.00 0.00 0.00 179.01 178.70 1f55 h VAL 48 N 0.04 0.00 -0.74 3.13 2.07 0.10 -1.77 116.25 119.09 1f55 h VAL 48 Ca -0.06 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1f55 h VAL 48 Cb 1.79 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1f55 h VAL 48 CO 0.16 0.00 0.49 -1.13 0.02 0.00 0.00 177.57 177.10 1f55 h ASN 49 N -0.42 0.59 -0.31 0.57 -0.00 0.65 -1.75 115.58 114.90 1f55 h ASN 49 Ca -0.03 0.01 0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1f55 h ASN 49 Cb 0.23 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.42 1f55 h ASN 49 CO 0.05 0.36 0.20 -0.78 -0.00 0.00 0.00 177.43 177.26 1f55 h ASP 50 N 0.66 0.34 0.16 1.15 3.58 -1.36 -1.18 116.42 119.77 1f55 h ASP 50 Ca 0.34 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.78 1f55 h ASP 50 Cb 0.44 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1f55 h ASP 50 CO -0.12 0.25 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.27 1f55 h LEU 51 N 0.41 -0.38 -0.56 2.28 4.07 -0.41 0.94 115.31 121.65 1f55 h LEU 51 Ca 0.12 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.20 1f55 h LEU 51 Cb -0.03 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 41.77 1f55 h LEU 51 CO -0.04 -0.23 0.19 -0.03 -1.08 0.00 0.00 178.44 177.26 1f55 h MET 52 N -0.33 0.36 0.06 1.13 4.05 -1.30 -2.28 114.93 116.62 1f55 h MET 52 Ca -0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1f55 h MET 52 Cb 0.31 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1f55 h MET 52 CO -0.03 0.24 -0.03 -0.97 0.23 0.00 0.00 176.91 176.35 1f55 h ASN 53 N 0.37 -0.07 -0.64 1.39 -1.24 -0.83 0.46 115.58 115.02 1f55 h ASN 53 Ca 0.27 -0.47 0.18 0.00 0.71 0.00 0.00 56.30 57.00 1f55 h ASN 53 Cb 0.33 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 1f55 h ASN 53 CO -0.29 0.46 0.85 -0.33 -1.29 0.00 0.00 177.43 176.83 1f55 h GLU 54 N -0.63 0.00 0.00 6.67 5.08 0.12 0.51 114.58 126.33 1f55 h GLU 54 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f55 h GLU 54 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1f55 h GLU 54 CO 0.01 0.00 -0.87 -0.89 -1.00 0.00 0.00 179.01 176.26 1f55 n ILE 55 N -3.32 0.00 -0.93 3.13 5.41 -0.88 -4.89 119.36 117.88 1f55 n ILE 55 Ca 0.13 -0.25 -0.29 0.00 1.00 0.00 0.00 62.75 63.34 1f55 n ILE 55 Cb 1.06 0.67 0.22 0.00 -0.71 0.00 0.00 39.64 40.89 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -2.38 1.41 0.00 4.38 2.15 0.18 -4.42 116.67 118.00 1f55 s ASP 56 Ca 0.00 1.07 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1f55 s ASP 56 Cb 0.06 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1f55 s ASP 56 CO 0.36 -3.87 0.00 1.33 -0.17 0.00 0.00 175.17 172.82 1f55 n VAL 57 N -4.65 0.00 0.47 1.11 0.24 -1.26 -4.82 118.33 109.41 1f55 n VAL 57 Ca 0.07 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 1f55 n VAL 57 Cb 0.57 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1f55 n VAL 57 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1f55 n ASP 58 N -1.31 0.56 -1.85 -1.34 5.75 -1.26 -5.02 116.55 112.09 1f55 n ASP 58 Ca 0.00 -0.20 -0.00 0.00 -0.01 0.00 0.00 54.79 54.58 1f55 n ASP 58 Cb 0.11 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.19 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f55 n GLY 59 N 1.35 -0.53 0.70 6.12 0.00 -1.26 -5.00 105.19 106.56 1f55 n GLY 59 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -1.13 1.08 0.00 1.61 6.94 -1.26 -4.95 115.26 117.55 1f55 n ASN 60 Ca 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 51.99 1f55 n ASN 60 Cb 0.48 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.37 0.00 -3.65 -2.53 8.25 -1.26 -4.92 115.22 110.73 1f55 n HIS 61 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.42 1f55 n HIS 61 Cb 0.81 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -0.85 0.95 0.12 -0.41 -0.21 -1.26 -3.27 119.66 114.73 1f55 s GLN 62 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.01 1f55 s GLN 62 Cb 0.00 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 1f55 s GLN 62 CO 0.00 -0.34 -0.13 0.96 -2.12 0.00 0.00 175.29 173.66 1f55 s ILE 63 N -2.72 1.25 0.43 1.08 -5.25 -0.05 -4.80 121.20 111.13 1f55 s ILE 63 Ca -0.04 -1.70 0.08 0.00 -0.99 0.00 0.00 60.65 58.00 1f55 s ILE 63 Cb -0.00 -1.50 0.01 0.00 2.95 0.00 0.00 42.46 43.92 1f55 s ILE 63 CO -0.04 -0.45 0.53 -1.61 -1.79 0.00 0.00 174.94 171.59 1f55 s GLU 64 N -2.70 2.73 0.00 0.37 2.02 -1.26 0.32 118.70 120.18 1f55 s GLU 64 Ca 0.08 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1f55 s GLU 64 Cb -0.04 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1f55 s GLU 64 CO 0.02 -0.28 0.92 0.34 0.02 0.00 0.00 175.26 176.28 1f55 n PHE 65 N -1.80 0.00 -0.24 1.61 7.35 -1.14 -1.32 117.46 121.93 1f55 n PHE 65 Ca 0.07 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.99 1f55 n PHE 65 Cb 0.60 -0.42 0.42 0.00 0.35 0.00 0.00 39.48 40.43 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -2.23 0.24 -0.11 -2.13 7.64 -1.26 0.27 113.62 116.04 1f55 n SER 66 Ca 0.00 1.23 -0.11 0.00 1.01 0.00 0.00 58.87 61.00 1f55 n SER 66 Cb 0.00 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.57 -0.88 1.43 5.08 -1.55 -2.23 114.58 117.00 1f55 h GLU 67 Ca 0.62 -0.20 0.15 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.62 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 1f55 h GLU 67 CO -0.58 0.73 0.57 0.35 -1.00 0.00 0.00 179.01 179.08 1f55 h PHE 68 N 0.36 0.79 -0.38 4.33 3.57 0.50 0.15 116.94 126.26 1f55 h PHE 68 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1f55 h PHE 68 Cb 0.48 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1f55 h PHE 68 CO 0.04 0.28 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.30 1f55 h LEU 69 N 0.66 0.69 -0.81 0.59 -0.00 -0.89 0.20 115.31 115.75 1f55 h LEU 69 Ca 0.45 -0.33 0.15 0.00 -0.00 0.00 0.00 57.88 58.15 1f55 h LEU 69 Cb 0.75 -0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 41.13 1f55 h LEU 69 CO -0.20 0.86 0.36 0.00 -0.00 0.00 0.00 178.44 179.46 1f55 h ALA 70 N 0.86 1.20 0.00 1.53 0.00 -0.40 0.21 119.26 122.66 1f55 h ALA 70 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 70 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f55 h ALA 70 CO 0.03 -0.18 -0.46 1.25 0.00 0.00 0.00 179.25 179.88 1f55 h LEU 71 N 0.51 0.00 0.00 0.00 7.12 -1.24 -3.23 115.31 118.46 1f55 h LEU 71 Ca 0.45 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.41 1f55 h LEU 71 Cb 0.70 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1f55 h LEU 71 CO -0.41 0.02 0.00 0.23 -0.13 0.00 0.00 178.44 178.16 1f55 n MET 72 N -2.62 0.00 0.04 1.25 2.81 0.68 -4.67 117.12 114.62 1f55 n MET 72 Ca 0.03 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.90 1f55 n MET 72 Cb 0.50 -0.48 -0.01 0.00 -0.71 0.00 0.00 33.22 32.52 1f55 n MET 72 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1f55 h SER 73 N 0.00 -0.09 -2.62 7.83 4.64 -1.49 -3.41 113.55 118.41 1f55 h SER 73 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1f55 h SER 73 Cb 0.00 0.02 0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1f55 h SER 73 CO 0.00 -0.06 1.04 -0.60 -0.87 0.00 0.00 176.83 176.34 1f55 s ARG 74 N -3.11 4.14 0.00 4.77 3.52 -1.22 -4.99 118.95 122.06 1f55 s ARG 74 Ca -0.02 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 1f55 s ARG 74 Cb 0.00 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1f55 s ARG 74 CO 0.05 -0.78 0.00 0.94 -0.81 0.00 0.00 175.30 174.70 1f55 n GLN 75 N 4.87 1.12 -1.35 5.12 7.27 -1.26 -4.16 117.38 128.98 1f55 n GLN 75 Ca 0.16 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.39 1f55 n GLN 75 Cb 0.37 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.94 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1f55 n LEU 76 N 0.00 -0.88 0.00 1.69 7.94 -1.26 -4.98 117.00 119.51 1f55 n LEU 76 Ca 0.00 2.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.95 1f55 n LEU 76 Cb 0.00 -3.35 0.00 0.00 0.53 0.00 0.00 43.42 40.60 1f55 n LEU 76 CO 0.00 -2.13 0.00 1.17 -1.11 0.00 0.00 177.39 175.32