#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdj n ALA 2 N 0.00 -1.79 -2.53 4.61 0.00 -1.26 -3.30 120.51 116.24 1gdj n ALA 2 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1gdj n ALA 2 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1gdj n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gdj n LEU 3 N -3.61 -4.03 -4.74 0.00 4.32 -1.26 -4.75 117.00 102.93 1gdj n LEU 3 Ca -0.21 1.63 -0.30 0.00 -0.02 0.00 0.00 56.01 57.11 1gdj n LEU 3 Cb 0.48 -2.23 0.12 0.00 -1.62 0.00 0.00 43.42 40.16 1gdj n LEU 3 CO 0.59 -2.74 0.68 0.42 -1.22 0.00 0.00 177.39 175.12 1gdj s THR 4 N -0.26 2.95 0.46 -5.08 -4.23 -1.21 -4.40 115.64 103.88 1gdj s THR 4 Ca -0.06 0.31 0.17 0.00 -1.18 0.00 0.00 61.69 60.93 1gdj s THR 4 Cb 0.00 -2.82 0.22 0.00 1.34 0.00 0.00 72.50 71.23 1gdj s THR 4 CO 0.17 -0.40 2.03 -0.08 -0.54 0.00 0.00 174.62 175.80 1gdj h GLU 5 N -1.35 0.00 0.02 3.99 4.81 -1.95 -2.27 114.58 117.84 1gdj h GLU 5 Ca -0.47 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.50 1gdj h GLU 5 Cb 1.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.66 1gdj h GLU 5 CO 0.54 0.14 -1.04 0.66 -0.73 0.00 0.00 179.01 178.58 1gdj h SER 6 N 0.00 0.73 -0.68 1.04 4.64 -1.99 -1.43 113.55 115.86 1gdj h SER 6 Ca -0.00 -0.61 0.03 0.00 -0.47 0.00 0.00 61.79 60.74 1gdj h SER 6 Cb 0.27 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 1gdj h SER 6 CO 0.02 1.41 0.43 1.56 -0.87 0.00 0.00 176.83 179.38 1gdj h GLN 7 N 0.30 0.82 -0.55 4.77 4.20 -1.80 -2.27 115.11 120.57 1gdj h GLN 7 Ca -0.12 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1gdj h GLN 7 Cb 1.69 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.26 1gdj h GLN 7 CO 0.19 0.54 0.25 0.00 -0.67 0.00 0.00 178.83 179.14 1gdj h ALA 8 N 1.29 0.72 -0.59 3.87 0.00 -1.38 -2.59 119.26 120.57 1gdj h ALA 8 Ca 0.27 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1gdj h ALA 8 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1gdj h ALA 8 CO -0.10 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.61 1gdj h ALA 9 N 1.09 1.15 -0.28 0.00 0.00 -1.03 -1.42 119.26 118.77 1gdj h ALA 9 Ca 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1gdj h ALA 9 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gdj h ALA 9 CO -0.02 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.66 1gdj h LEU 10 N 0.88 0.56 -0.26 0.00 3.38 -1.21 -1.91 115.31 116.75 1gdj h LEU 10 Ca 0.19 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1gdj h LEU 10 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1gdj h LEU 10 CO -0.00 0.80 0.13 0.58 0.09 0.00 0.00 178.44 180.04 1gdj h VAL 11 N 0.31 0.99 -0.44 1.22 2.07 -1.18 -0.42 116.25 118.80 1gdj h VAL 11 Ca 0.07 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1gdj h VAL 11 Cb 0.56 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1gdj h VAL 11 CO 0.03 0.05 0.23 0.50 0.02 0.00 0.00 177.57 178.40 1gdj h LYS 12 N 0.27 0.45 -0.30 1.57 3.64 -1.07 -1.63 116.57 119.50 1gdj h LYS 12 Ca 0.11 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1gdj h LYS 12 Cb 0.03 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1gdj h LYS 12 CO -0.07 0.30 -0.49 0.66 -2.27 0.00 0.00 179.45 177.58 1gdj h SER 13 N 0.46 0.89 0.97 4.20 4.64 -1.24 -0.81 113.55 122.67 1gdj h SER 13 Ca 0.19 -0.45 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1gdj h SER 13 Cb 0.08 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1gdj h SER 13 CO -0.12 1.23 -0.15 0.77 -0.87 0.00 0.00 176.83 177.68 1gdj h SER 14 N 0.64 0.00 -0.02 4.97 4.64 -0.93 -2.52 113.55 120.34 1gdj h SER 14 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1gdj h SER 14 Cb 1.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1gdj h SER 14 CO 0.11 0.15 -0.41 -0.25 -0.87 0.00 0.00 176.83 175.56 1gdj h TRP 15 N 0.00 0.44 -0.84 4.77 7.01 -1.16 -1.64 115.95 124.54 1gdj h TRP 15 Ca -0.00 -0.23 0.06 0.00 2.11 0.00 0.00 58.89 60.83 1gdj h TRP 15 Cb 0.68 -0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.63 1gdj h TRP 15 CO 0.00 1.02 0.52 0.93 -2.79 0.00 0.00 178.44 178.12 1gdj h GLU 16 N -0.27 0.93 -0.52 2.65 5.08 -0.91 0.02 114.58 121.56 1gdj h GLU 16 Ca -0.05 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1gdj h GLU 16 Cb 1.12 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1gdj h GLU 16 CO 0.08 0.61 -0.01 1.49 -1.00 0.00 0.00 179.01 180.18 1gdj h GLU 17 N 0.95 0.89 0.14 2.33 4.81 -1.42 -2.03 114.58 120.26 1gdj h GLU 17 Ca 0.36 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1gdj h GLU 17 Cb 0.15 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1gdj h GLU 17 CO -0.17 0.90 -0.19 0.35 -0.73 0.00 0.00 179.01 179.17 1gdj h PHE 18 N 0.83 -0.49 0.00 0.92 3.57 -0.77 -2.95 116.94 118.04 1gdj h PHE 18 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1gdj h PHE 18 Cb 0.50 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1gdj h PHE 18 CO 0.03 -0.28 0.00 -1.71 -2.23 0.00 0.00 178.31 174.12 1gdj n ASN 19 N -5.31 0.00 0.18 0.41 5.15 -0.05 -2.60 115.26 113.03 1gdj n ASN 19 Ca -0.07 0.06 0.07 0.00 -0.60 0.00 0.00 54.58 54.04 1gdj n ASN 19 Cb 0.23 -0.32 0.11 0.00 -0.53 0.00 0.00 39.78 39.27 1gdj n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gdj h ALA 20 N 2.94 0.83 -2.02 5.20 0.00 -1.19 -3.36 119.26 121.67 1gdj h ALA 20 Ca 0.00 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 1gdj h ALA 20 Cb 0.22 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.57 1gdj h ALA 20 CO 0.00 0.33 -1.06 -1.71 0.00 0.00 0.00 179.25 176.81 1gdj n ASN 21 N -3.17 0.52 -0.34 0.00 4.05 -1.07 -5.00 115.26 110.24 1gdj n ASN 21 Ca 0.03 -2.77 -0.02 0.00 0.45 0.00 0.00 54.58 52.27 1gdj n ASN 21 Cb 0.63 -0.64 0.10 0.00 1.23 0.00 0.00 39.78 41.10 1gdj n ASN 21 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1gdj h ILE 22 N 2.09 1.21 -0.25 -1.44 1.08 -1.73 -1.29 117.51 117.19 1gdj h ILE 22 Ca 0.08 -0.42 0.04 0.00 -0.39 0.00 0.00 64.86 64.17 1gdj h ILE 22 Cb 0.86 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 1gdj h ILE 22 CO 0.50 0.22 0.04 -0.65 -0.69 0.00 0.00 178.15 177.56 1gdj h PRO 23 N 1.22 0.12 -0.01 2.37 0.11 -1.92 -1.34 132.00 132.55 1gdj h PRO 23 Ca 0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1gdj h PRO 23 Cb -0.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1gdj h PRO 23 CO -0.09 0.08 -0.03 -0.22 -0.21 0.00 0.00 178.00 177.53 1gdj h LYS 24 N 0.12 0.04 -0.12 1.05 3.64 -1.85 -2.95 116.57 116.50 1gdj h LYS 24 Ca 0.11 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1gdj h LYS 24 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1gdj h LYS 24 CO -0.16 0.62 -0.41 0.45 -2.27 0.00 0.00 179.45 177.68 1gdj h HIS 25 N -0.53 0.33 -0.05 1.91 3.86 -1.09 -1.67 115.15 117.90 1gdj h HIS 25 Ca -0.00 -0.09 -0.15 0.00 -1.16 0.00 0.00 60.37 58.97 1gdj h HIS 25 Cb 0.62 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1gdj h HIS 25 CO 0.13 0.65 -0.62 1.79 0.86 0.00 0.00 177.93 180.74 1gdj h THR 26 N 0.23 1.40 -0.18 2.45 1.35 -1.36 -0.31 112.91 116.50 1gdj h THR 26 Ca 0.02 -2.04 -0.04 0.00 -0.55 0.00 0.00 66.41 63.79 1gdj h THR 26 Cb 0.83 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1gdj h THR 26 CO 0.07 0.60 -0.06 -0.74 -0.25 0.00 0.00 175.52 175.13 1gdj h HIS 27 N 0.15 0.40 -0.26 4.73 -0.00 -1.35 -2.42 115.15 116.40 1gdj h HIS 27 Ca -0.01 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.31 1gdj h HIS 27 Cb 1.13 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.41 1gdj h HIS 27 CO 0.02 0.64 0.03 -0.09 -0.00 0.00 0.00 177.93 178.53 1gdj h ARG 28 N 0.05 0.12 -0.33 5.26 9.65 -1.11 -2.18 114.38 125.82 1gdj h ARG 28 Ca 0.04 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1gdj h ARG 28 Cb 0.52 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.01 1gdj h ARG 28 CO 0.02 0.08 -0.14 0.35 2.80 0.00 0.00 179.97 183.08 1gdj h PHE 29 N 0.12 -0.34 -0.27 2.20 3.57 -0.97 -0.92 116.94 120.34 1gdj h PHE 29 Ca 0.12 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1gdj h PHE 29 Cb 0.14 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1gdj h PHE 29 CO -0.18 -0.21 -0.24 0.74 -2.23 0.00 0.00 178.31 176.19 1gdj h PHE 30 N -0.08 0.57 -0.49 0.41 0.04 -1.15 0.48 116.94 116.72 1gdj h PHE 30 Ca 0.17 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.87 1gdj h PHE 30 Cb 0.34 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 1gdj h PHE 30 CO -0.36 0.71 0.24 0.82 -0.60 0.00 0.00 178.31 179.12 1gdj h ILE 31 N 0.45 0.95 -0.47 -0.55 1.08 -1.00 -1.91 117.51 116.06 1gdj h ILE 31 Ca 0.07 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1gdj h ILE 31 Cb 0.66 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1gdj h ILE 31 CO 0.05 0.09 0.13 -0.07 -0.69 0.00 0.00 178.15 177.66 1gdj h LEU 32 N 0.47 0.70 -0.18 1.44 3.38 -0.35 -1.45 115.31 119.33 1gdj h LEU 32 Ca 0.22 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1gdj h LEU 32 Cb 0.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1gdj h LEU 32 CO -0.16 0.73 -0.16 0.58 0.09 0.00 0.00 178.44 179.52 1gdj h VAL 33 N 0.63 0.57 0.00 1.22 2.07 -0.58 -2.38 116.25 117.78 1gdj h VAL 33 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1gdj h VAL 33 Cb 0.29 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1gdj h VAL 33 CO -0.00 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.30 1gdj h LEU 34 N -0.17 0.00 -0.45 2.57 4.07 -1.22 0.00 115.31 120.11 1gdj h LEU 34 Ca 0.11 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.91 1gdj h LEU 34 Cb 0.34 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.07 1gdj h LEU 34 CO -0.28 0.22 -0.50 -0.33 -1.08 0.00 0.00 178.44 176.47 1gdj h GLU 35 N 0.00 0.72 -0.05 1.13 5.08 -0.89 -1.95 114.58 118.62 1gdj h GLU 35 Ca -0.00 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1gdj h GLU 35 Cb 0.51 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1gdj h GLU 35 CO 0.03 1.05 -0.28 0.82 -1.00 0.00 0.00 179.01 179.63 1gdj h ILE 36 N 0.56 1.46 -2.24 3.13 2.04 -0.92 -3.42 117.51 118.12 1gdj h ILE 36 Ca 0.02 -1.75 -0.51 0.00 1.00 0.00 0.00 64.86 63.63 1gdj h ILE 36 Cb 1.07 2.44 -0.35 0.00 -0.74 0.00 0.00 36.82 39.24 1gdj h ILE 36 CO 0.10 0.49 -0.84 0.00 0.00 0.00 0.00 178.15 177.91 1gdj s ALA 37 N -3.54 0.57 0.40 1.87 0.00 -0.06 -5.01 121.76 115.98 1gdj s ALA 37 Ca -0.15 -1.79 0.15 0.00 0.00 0.00 0.00 51.96 50.18 1gdj s ALA 37 Cb 0.03 -1.78 1.01 0.00 0.00 0.00 0.00 23.12 22.38 1gdj s ALA 37 CO 0.76 -2.08 1.84 -1.35 0.00 0.00 0.00 175.76 174.93 1gdj h PRO 38 N 6.34 0.47 0.00 0.00 0.11 -1.57 -1.00 132.00 136.35 1gdj h PRO 38 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1gdj h PRO 38 Cb 0.98 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1gdj h PRO 38 CO 0.27 0.31 -0.00 0.00 -0.21 0.00 0.00 178.00 178.36 1gdj h ALA 39 N 1.61 1.04 0.00 -0.75 0.00 -1.95 -2.78 119.26 116.43 1gdj h ALA 39 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1gdj h ALA 39 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1gdj h ALA 39 CO -0.21 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1gdj n ALA 40 N -2.10 1.40 -0.07 0.00 0.00 -0.38 -3.55 120.51 115.81 1gdj n ALA 40 Ca -0.02 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1gdj n ALA 40 Cb 0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1gdj n ALA 40 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1gdj h LYS 41 N 0.00 -0.02 -0.56 0.00 3.64 -1.69 -1.78 116.57 116.16 1gdj h LYS 41 Ca 0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1gdj h LYS 41 Cb 0.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1gdj h LYS 41 CO 0.00 -0.01 0.62 -0.44 -2.27 0.00 0.00 179.45 177.34 1gdj h ASP 42 N -0.02 0.00 1.38 4.20 3.32 -1.83 -1.62 116.42 121.84 1gdj h ASP 42 Ca 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1gdj h ASP 42 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1gdj h ASP 42 CO -0.30 0.00 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.00 1gdj h LEU 43 N 0.00 0.00 -8.83 1.55 3.38 -1.57 -3.45 115.31 106.39 1gdj h LEU 43 Ca 0.26 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.60 1gdj h LEU 43 Cb 1.50 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.06 1gdj h LEU 43 CO -0.00 0.14 -0.56 -0.36 0.09 0.00 0.00 178.44 177.75 1gdj s PHE 44 N -3.40 3.18 0.24 1.13 0.08 -0.61 -5.00 117.98 113.59 1gdj s PHE 44 Ca 0.03 -0.08 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 1gdj s PHE 44 Cb 0.08 -2.29 0.41 0.00 -0.57 0.00 0.00 43.02 40.65 1gdj s PHE 44 CO 0.64 -0.19 1.76 0.66 -0.10 0.00 0.00 175.22 177.99 1gdj h SER 45 N 8.09 0.42 0.48 1.36 4.64 -1.87 -2.13 113.55 124.54 1gdj h SER 45 Ca -0.37 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1gdj h SER 45 Cb 1.18 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1gdj h SER 45 CO 0.58 0.21 0.00 2.22 -0.87 0.00 0.00 176.83 178.97 1gdj n PHE 46 N -4.91 0.00 -0.09 4.77 1.16 -1.26 -3.63 117.46 113.51 1gdj n PHE 46 Ca 0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.52 1gdj n PHE 46 Cb 0.35 -0.47 -0.06 0.00 -1.61 0.00 0.00 39.48 37.69 1gdj n PHE 46 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1gdj n LEU 47 N -1.47 1.39 -4.56 5.98 4.77 -0.85 -4.89 117.00 117.38 1gdj n LEU 47 Ca 0.04 0.24 -0.55 0.00 -0.03 0.00 0.00 56.01 55.71 1gdj n LEU 47 Cb 0.17 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 1gdj n LEU 47 CO 0.14 0.30 1.56 0.29 -1.33 0.00 0.00 177.39 178.34 1gdj n LYS 48 N -3.90 1.02 0.00 3.23 5.02 -0.92 -1.09 118.16 121.52 1gdj n LYS 48 Ca -0.34 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1gdj n LYS 48 Cb 0.72 -2.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1gdj n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gdj n GLY 49 N 5.50 1.05 3.65 0.72 0.00 -1.26 -4.97 105.19 109.88 1gdj n GLY 49 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 1gdj n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gdj s THR 50 N -2.00 3.14 -0.15 2.61 -4.23 -0.25 -5.07 115.64 109.69 1gdj s THR 50 Ca 0.00 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1gdj s THR 50 Cb 0.00 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 1gdj s THR 50 CO 0.00 -0.30 -0.12 -1.54 -0.54 0.00 0.00 174.62 172.13 1gdj n SER 51 N -0.95 1.82 -4.70 3.99 3.41 -1.26 -4.96 113.62 110.96 1gdj n SER 51 Ca -0.05 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 58.93 1gdj n SER 51 Cb 0.60 -0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1gdj n SER 51 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1gdj s GLU 52 N -2.26 2.32 -0.02 4.33 8.01 -1.26 -5.07 118.70 124.75 1gdj s GLU 52 Ca -0.17 -1.54 -0.30 0.00 0.01 0.00 0.00 54.97 52.97 1gdj s GLU 52 Cb 0.03 -2.14 -0.06 0.00 -4.31 0.00 0.00 34.13 27.64 1gdj s GLU 52 CO 0.28 0.18 1.62 0.08 0.01 0.00 0.00 175.26 177.43 1gdj s VAL 53 N -2.41 3.47 0.53 2.63 1.01 -1.26 -4.94 120.40 119.42 1gdj s VAL 53 Ca 0.36 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 1gdj s VAL 53 Cb -0.03 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 1gdj s VAL 53 CO 0.21 -0.04 0.98 -0.81 0.00 0.00 0.00 175.10 175.44 1gdj n PRO 54 N 6.53 1.11 -0.05 2.72 -0.04 -1.26 -4.95 135.00 139.05 1gdj n PRO 54 Ca 0.16 0.41 0.01 0.00 -0.04 0.00 0.00 63.50 64.05 1gdj n PRO 54 Cb 0.42 -2.12 -0.16 0.00 -0.04 0.00 0.00 33.50 31.60 1gdj n PRO 54 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1gdj n GLN 55 N -0.48 0.67 -2.55 0.54 6.02 -1.26 -4.64 117.38 115.68 1gdj n GLN 55 Ca 0.11 -0.10 -0.17 0.00 -0.01 0.00 0.00 57.00 56.83 1gdj n GLN 55 Cb 0.44 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 30.19 1gdj n GLN 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1gdj n ASN 56 N -2.50 3.09 -4.55 1.08 4.13 -1.26 -4.84 115.26 110.41 1gdj n ASN 56 Ca -0.18 -3.17 -0.38 0.00 1.68 0.00 0.00 54.58 52.53 1gdj n ASN 56 Cb 0.86 -0.48 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 1gdj n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1gdj s ASN 57 N -3.38 5.88 0.56 6.41 3.84 -1.26 -4.97 114.94 122.02 1gdj s ASN 57 Ca 0.38 -0.17 0.35 0.00 0.21 0.00 0.00 52.86 53.63 1gdj s ASN 57 Cb 0.42 -2.09 1.51 0.00 -0.55 0.00 0.00 41.25 40.54 1gdj s ASN 57 CO -0.07 -0.10 2.03 1.55 -2.79 0.00 0.00 177.10 177.72 1gdj h PRO 58 N 8.38 0.00 0.18 0.43 0.13 -1.99 -2.54 132.00 136.59 1gdj h PRO 58 Ca -0.34 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.53 1gdj h PRO 58 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.34 1gdj h PRO 58 CO 0.58 0.00 -1.10 0.93 -0.23 0.00 0.00 178.00 178.18 1gdj h GLU 59 N 0.00 0.42 -0.20 0.86 5.08 -1.99 -2.05 114.58 116.69 1gdj h GLU 59 Ca 0.00 -0.70 0.04 0.00 -1.00 0.00 0.00 59.36 57.70 1gdj h GLU 59 Cb 0.43 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1gdj h GLU 59 CO 0.00 1.33 -0.03 1.25 -1.00 0.00 0.00 179.01 180.56 1gdj h LEU 60 N -0.13 -0.15 -0.07 1.33 6.46 -1.90 -2.16 115.31 118.70 1gdj h LEU 60 Ca -0.19 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1gdj h LEU 60 Cb 1.86 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.86 1gdj h LEU 60 CO 0.21 -0.05 -0.14 1.56 -0.62 0.00 0.00 178.44 179.40 1gdj h GLN 61 N 0.02 -0.19 -0.46 1.25 4.20 -1.52 -2.17 115.11 116.23 1gdj h GLN 61 Ca 0.10 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1gdj h GLN 61 Cb 0.14 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1gdj h GLN 61 CO -0.19 -0.13 0.26 0.00 -0.67 0.00 0.00 178.83 178.10 1gdj h ALA 62 N 0.81 0.59 0.44 3.87 0.00 -1.34 -1.14 119.26 122.50 1gdj h ALA 62 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gdj h ALA 62 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gdj h ALA 62 CO -0.19 0.11 -0.21 1.25 0.00 0.00 0.00 179.25 180.21 1gdj h HIS 63 N 0.61 -0.55 -0.28 0.00 -0.00 -1.25 -2.58 115.15 111.10 1gdj h HIS 63 Ca 0.16 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 1gdj h HIS 63 Cb 0.04 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1gdj h HIS 63 CO -0.02 -0.26 -0.04 0.00 -0.00 0.00 0.00 177.93 177.61 1gdj h ALA 64 N -0.33 1.41 -0.04 5.26 0.00 -1.45 -1.97 119.26 122.15 1gdj h ALA 64 Ca -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1gdj h ALA 64 Cb 0.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gdj h ALA 64 CO 0.10 0.41 0.02 0.78 0.00 0.00 0.00 179.25 180.56 1gdj h GLY 65 N 0.80 0.05 0.94 0.00 0.00 -1.18 -1.46 103.07 102.23 1gdj h GLY 65 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1gdj h GLY 65 CO 0.01 0.02 0.16 0.50 0.00 0.00 0.00 176.54 177.23 1gdj h LYS 66 N 0.01 0.62 0.24 4.80 1.57 -1.18 -1.75 116.57 120.87 1gdj h LYS 66 Ca 0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1gdj h LYS 66 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1gdj h LYS 66 CO -0.00 0.58 -0.15 0.28 -0.57 0.00 0.00 179.45 179.59 1gdj h VAL 67 N 0.52 0.67 -0.77 0.50 2.07 -1.20 -1.57 116.25 116.46 1gdj h VAL 67 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 1gdj h VAL 67 Cb 0.20 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1gdj h VAL 67 CO -0.01 0.00 0.27 -0.26 0.02 0.00 0.00 177.57 177.59 1gdj h PHE 68 N -0.39 1.22 -0.32 1.57 -1.00 -1.23 -2.63 116.94 114.15 1gdj h PHE 68 Ca -0.02 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.57 1gdj h PHE 68 Cb 0.33 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1gdj h PHE 68 CO -0.09 0.94 -0.15 -0.22 -1.61 0.00 0.00 178.31 177.17 1gdj h LYS 69 N 1.14 0.58 -0.37 1.51 3.64 -1.16 -1.87 116.57 120.03 1gdj h LYS 69 Ca 0.25 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1gdj h LYS 69 Cb 0.27 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1gdj h LYS 69 CO -0.01 0.71 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.52 1gdj h LEU 70 N 0.52 0.89 -0.70 5.20 3.38 -1.22 0.17 115.31 123.56 1gdj h LEU 70 Ca 0.09 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1gdj h LEU 70 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1gdj h LEU 70 CO 0.04 1.15 -0.11 0.58 0.09 0.00 0.00 178.44 180.19 1gdj h VAL 71 N 0.64 1.26 -0.28 1.22 2.07 -1.16 -1.04 116.25 118.96 1gdj h VAL 71 Ca 0.07 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1gdj h VAL 71 Cb 0.86 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1gdj h VAL 71 CO 0.08 0.42 0.17 0.22 0.02 0.00 0.00 177.57 178.48 1gdj h TYR 72 N 0.80 0.37 0.00 1.57 3.20 -1.16 -1.32 116.97 120.43 1gdj h TYR 72 Ca 0.13 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1gdj h TYR 72 Cb 0.63 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1gdj h TYR 72 CO 0.04 0.27 -0.33 0.93 -1.64 0.00 0.00 178.16 177.42 1gdj h GLU 73 N 0.36 0.00 -0.52 1.82 5.08 -0.45 -1.91 114.58 118.95 1gdj h GLU 73 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1gdj h GLU 73 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1gdj h GLU 73 CO -0.02 0.33 -0.09 0.00 -1.00 0.00 0.00 179.01 178.23 1gdj h ALA 74 N 1.67 0.71 -0.48 3.43 0.00 -0.71 -1.86 119.26 122.03 1gdj h ALA 74 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1gdj h ALA 74 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1gdj h ALA 74 CO 0.04 0.61 0.32 0.00 0.00 0.00 0.00 179.25 180.22 1gdj h ALA 75 N 0.92 0.61 -0.34 0.00 0.00 -0.48 -0.13 119.26 119.83 1gdj h ALA 75 Ca 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gdj h ALA 75 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1gdj h ALA 75 CO 0.04 0.06 0.12 0.82 0.00 0.00 0.00 179.25 180.29 1gdj h ILE 76 N 0.65 1.20 -0.75 0.00 1.08 -1.33 -2.64 117.51 115.73 1gdj h ILE 76 Ca 0.18 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1gdj h ILE 76 Cb -0.07 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1gdj h ILE 76 CO -0.04 0.22 0.49 -0.61 -0.69 0.00 0.00 178.15 177.52 1gdj h GLN 77 N 0.40 0.94 -0.73 2.37 4.15 -0.93 0.17 115.11 121.48 1gdj h GLN 77 Ca 0.11 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1gdj h GLN 77 Cb 0.23 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1gdj h GLN 77 CO -0.01 0.62 0.30 -0.07 -1.93 0.00 0.00 178.83 177.74 1gdj h LEU 78 N 0.97 1.01 -0.04 -2.39 3.38 -0.95 -0.52 115.31 116.77 1gdj h LEU 78 Ca 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gdj h LEU 78 Cb -0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 1gdj h LEU 78 CO -0.09 0.90 -0.00 -0.08 0.09 0.00 0.00 178.44 179.26 1gdj h GLU 79 N 1.05 0.07 -0.18 1.13 4.22 -1.09 -0.39 114.58 119.38 1gdj h GLU 79 Ca 0.24 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.58 1gdj h GLU 79 Cb 0.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1gdj h GLU 79 CO -0.02 0.37 -0.21 0.28 -2.18 0.00 0.00 179.01 177.26 1gdj h VAL 80 N -0.24 1.34 0.00 0.32 2.07 -0.50 -3.38 116.25 115.85 1gdj h VAL 80 Ca 0.01 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 1gdj h VAL 80 Cb 0.34 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1gdj h VAL 80 CO 0.00 0.42 -1.55 0.35 0.02 0.00 0.00 177.57 176.81 1gdj n THR 81 N -4.45 0.03 -0.61 2.57 -2.24 -0.22 -5.02 114.28 104.34 1gdj n THR 81 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1gdj n THR 81 Cb 0.41 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1gdj n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gdj n GLY 82 N 1.85 0.95 3.29 3.38 0.00 -0.16 -5.02 105.19 109.48 1gdj n GLY 82 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1gdj n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gdj s VAL 83 N -3.28 0.00 -0.30 1.61 -7.23 -1.26 -4.92 120.40 105.02 1gdj s VAL 83 Ca 0.00 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 1gdj s VAL 83 Cb 0.00 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1gdj s VAL 83 CO 0.00 0.00 0.18 -0.69 -0.31 0.00 0.00 175.10 174.28 1gdj s VAL 84 N -4.03 4.95 -0.04 1.32 1.01 -1.26 -3.27 120.40 119.08 1gdj s VAL 84 Ca 0.36 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 1gdj s VAL 84 Cb 0.05 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1gdj s VAL 84 CO 0.13 0.14 0.66 -0.69 0.00 0.00 0.00 175.10 175.34 1gdj s VAL 85 N 1.69 4.98 0.79 2.92 1.01 -1.26 -5.03 120.40 125.50 1gdj s VAL 85 Ca 0.06 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 1gdj s VAL 85 Cb -0.17 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1gdj s VAL 85 CO 0.08 0.32 1.10 -0.89 0.00 0.00 0.00 175.10 175.72 1gdj s THR 86 N 0.39 3.15 0.00 3.92 2.01 -1.26 -5.00 115.64 118.84 1gdj s THR 86 Ca 0.35 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1gdj s THR 86 Cb -0.18 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1gdj s THR 86 CO 0.18 -0.48 0.00 -0.90 -0.69 0.00 0.00 174.62 172.72 1gdj n ASP 87 N -3.59 0.00 -0.03 3.53 5.75 -1.26 -5.00 116.55 115.95 1gdj n ASP 87 Ca 0.09 -0.86 -0.12 0.00 -0.01 0.00 0.00 54.79 53.89 1gdj n ASP 87 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 1gdj n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gdj h ALA 88 N 1.99 0.13 -0.76 2.12 0.00 -1.99 -2.03 119.26 118.72 1gdj h ALA 88 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1gdj h ALA 88 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1gdj h ALA 88 CO 0.00 -0.14 0.39 1.15 0.00 0.00 0.00 179.25 180.65 1gdj h THR 89 N -0.15 0.83 0.00 0.00 2.02 -1.99 0.75 112.91 114.37 1gdj h THR 89 Ca 0.02 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1gdj h THR 89 Cb 0.43 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1gdj h THR 89 CO 0.01 0.12 -0.52 -0.07 0.37 0.00 0.00 175.52 175.42 1gdj h LEU 90 N 0.64 0.00 0.14 2.58 3.38 -1.94 -1.99 115.31 118.12 1gdj h LEU 90 Ca 0.39 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.07 1gdj h LEU 90 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1gdj h LEU 90 CO -0.29 0.52 -1.31 0.11 0.09 0.00 0.00 178.44 177.56 1gdj h LYS 91 N 0.00 0.30 -0.23 1.13 1.57 -0.65 -1.92 116.57 116.77 1gdj h LYS 91 Ca -0.01 -0.52 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1gdj h LYS 91 Cb 1.28 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.75 1gdj h LYS 91 CO 0.07 1.24 -0.03 -0.97 -0.57 0.00 0.00 179.45 179.19 1gdj h ASN 92 N 0.08 -0.14 -0.87 0.86 -1.24 -0.86 -2.23 115.58 111.18 1gdj h ASN 92 Ca -0.16 0.06 0.15 0.00 0.71 0.00 0.00 56.30 57.06 1gdj h ASN 92 Cb 2.00 0.11 -0.10 0.00 0.73 0.00 0.00 38.32 41.07 1gdj h ASN 92 CO 0.21 -0.04 0.46 0.25 -1.29 0.00 0.00 177.43 177.02 1gdj h LEU 93 N 0.04 0.57 -0.55 0.34 6.46 -1.39 0.58 115.31 121.37 1gdj h LEU 93 Ca 0.11 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1gdj h LEU 93 Cb 0.15 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1gdj h LEU 93 CO -0.21 0.24 0.26 1.23 -0.62 0.00 0.00 178.44 179.34 1gdj h GLY 94 N 0.65 0.85 0.75 3.75 0.00 -0.83 -1.46 103.07 106.79 1gdj h GLY 94 Ca 0.48 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 1gdj h GLY 94 CO -0.36 0.41 -0.11 0.23 0.00 0.00 0.00 176.54 176.71 1gdj h SER 95 N 0.74 0.36 -0.94 0.19 0.87 0.64 -2.63 113.55 112.78 1gdj h SER 95 Ca 0.19 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1gdj h SER 95 Cb 0.13 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1gdj h SER 95 CO -0.02 0.72 0.55 -0.37 -0.53 0.00 0.00 176.83 177.18 1gdj h VAL 96 N -0.01 1.26 -0.74 2.23 -1.51 -0.86 -2.44 116.25 114.19 1gdj h VAL 96 Ca 0.03 -0.59 -0.05 0.00 -1.23 0.00 0.00 66.70 64.86 1gdj h VAL 96 Cb 0.61 -0.05 -0.03 0.00 -2.13 0.00 0.00 31.29 29.69 1gdj h VAL 96 CO 0.03 0.28 0.25 0.45 -1.23 0.00 0.00 177.57 177.35 1gdj h HIS 97 N 1.30 1.17 -0.80 5.19 3.86 -1.23 -1.73 115.15 122.91 1gdj h HIS 97 Ca 0.33 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.44 1gdj h HIS 97 Cb -0.03 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 1gdj h HIS 97 CO 0.01 0.92 0.53 0.28 0.86 0.00 0.00 177.93 180.52 1gdj h VAL 98 N 1.08 1.21 -0.90 2.45 2.07 -1.09 -0.50 116.25 120.57 1gdj h VAL 98 Ca 0.24 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1gdj h VAL 98 Cb 0.28 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1gdj h VAL 98 CO -0.01 0.20 0.53 0.28 0.02 0.00 0.00 177.57 178.59 1gdj h SER 99 N 1.09 1.09 1.11 0.57 0.02 -1.09 -2.80 113.55 113.54 1gdj h SER 99 Ca 0.29 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1gdj h SER 99 Cb -0.12 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.15 1gdj h SER 99 CO -0.06 0.85 -0.06 0.29 -1.14 0.00 0.00 176.83 176.71 1gdj n LYS 100 N -4.35 0.09 -1.25 3.45 4.76 -0.68 -4.91 118.16 115.27 1gdj n LYS 100 Ca 0.10 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1gdj n LYS 100 Cb 0.07 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 1gdj n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gdj n GLY 101 N 1.43 0.72 3.71 0.72 0.00 -0.97 -4.92 105.19 105.89 1gdj n GLY 101 Ca 0.06 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1gdj n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdj s VAL 102 N -2.00 4.76 0.39 1.61 1.01 -0.23 -5.04 120.40 120.89 1gdj s VAL 102 Ca 0.00 2.01 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1gdj s VAL 102 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1gdj s VAL 102 CO 0.00 0.17 0.10 0.00 0.00 0.00 0.00 175.10 175.37 1gdj s ALA 103 N 0.92 3.41 0.22 5.51 0.00 -1.26 -4.49 121.76 126.07 1gdj s ALA 103 Ca 0.52 -2.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.31 1gdj s ALA 103 Cb -0.22 -0.31 0.24 0.00 0.00 0.00 0.00 23.12 22.83 1gdj s ALA 103 CO 0.28 -0.08 1.84 -0.44 0.00 0.00 0.00 175.76 177.36 1gdj h ASP 104 N 1.59 0.73 0.22 0.00 3.32 -1.99 -1.96 116.42 118.34 1gdj h ASP 104 Ca -0.43 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1gdj h ASP 104 Cb 1.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1gdj h ASP 104 CO 0.71 0.49 0.00 0.00 -1.72 0.00 0.00 179.24 178.72 1gdj n ALA 105 N -2.33 1.44 0.16 3.45 0.00 -1.26 -2.00 120.51 119.97 1gdj n ALA 105 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1gdj n ALA 105 Cb 0.12 -1.13 0.07 0.00 0.00 0.00 0.00 19.45 18.51 1gdj n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gdj h HIS 106 N 0.00 0.00 -0.89 0.00 3.86 -1.77 -3.38 115.15 112.97 1gdj h HIS 106 Ca 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1gdj h HIS 106 Cb 0.11 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 1gdj h HIS 106 CO 0.00 0.34 0.59 0.74 0.86 0.00 0.00 177.93 180.46 1gdj h PHE 107 N 0.00 1.11 -0.32 2.45 -1.00 -1.54 -2.48 116.94 115.16 1gdj h PHE 107 Ca -0.01 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.84 1gdj h PHE 107 Cb 1.27 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.44 1gdj h PHE 107 CO 0.00 0.68 0.22 -1.35 -1.61 0.00 0.00 178.31 176.25 1gdj h PRO 108 N 1.18 0.24 0.29 1.51 0.11 -1.81 -2.07 132.00 131.45 1gdj h PRO 108 Ca 0.34 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1gdj h PRO 108 Cb -0.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1gdj h PRO 108 CO -0.08 0.16 -0.15 0.28 -0.21 0.00 0.00 178.00 177.99 1gdj h VAL 109 N 0.24 0.70 -0.08 3.15 2.07 -1.70 -1.22 116.25 119.41 1gdj h VAL 109 Ca 0.14 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.51 1gdj h VAL 109 Cb 0.24 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1gdj h VAL 109 CO -0.03 0.00 -0.59 0.58 0.02 0.00 0.00 177.57 177.56 1gdj h VAL 110 N -0.41 1.38 0.31 2.57 2.07 -1.56 -2.42 116.25 118.18 1gdj h VAL 110 Ca -0.04 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1gdj h VAL 110 Cb 0.32 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1gdj h VAL 110 CO 0.06 0.57 -0.15 0.50 0.02 0.00 0.00 177.57 178.58 1gdj h LYS 111 N 0.20 -0.40 -0.39 1.57 3.64 -1.23 -0.88 116.57 119.08 1gdj h LYS 111 Ca -0.00 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1gdj h LYS 111 Cb 1.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1gdj h LYS 111 CO 0.09 -0.24 -0.02 0.93 -2.27 0.00 0.00 179.45 177.95 1gdj h GLU 112 N -0.45 0.63 -0.46 1.90 4.39 -1.11 -2.13 114.58 117.35 1gdj h GLU 112 Ca -0.04 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1gdj h GLU 112 Cb 0.34 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1gdj h GLU 112 CO 0.07 0.66 -0.06 0.00 -1.16 0.00 0.00 179.01 178.53 1gdj h ALA 113 N 1.39 1.04 -0.19 3.43 0.00 -1.23 -1.45 119.26 122.24 1gdj h ALA 113 Ca 0.12 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1gdj h ALA 113 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gdj h ALA 113 CO 0.02 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 1gdj h ILE 114 N 0.73 1.28 -0.69 0.00 2.04 -0.77 -1.65 117.51 118.45 1gdj h ILE 114 Ca 0.13 -0.97 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1gdj h ILE 114 Cb 0.53 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1gdj h ILE 114 CO 0.03 0.29 0.21 -0.07 0.00 0.00 0.00 178.15 178.62 1gdj h LEU 115 N 0.09 1.00 -0.92 1.44 3.38 -1.13 -0.13 115.31 119.04 1gdj h LEU 115 Ca 0.05 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1gdj h LEU 115 Cb 0.46 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1gdj h LEU 115 CO 0.02 0.95 -0.37 0.11 0.09 0.00 0.00 178.44 179.24 1gdj h LYS 116 N 1.01 0.34 0.11 1.13 1.57 -1.26 -1.58 116.57 117.88 1gdj h LYS 116 Ca 0.22 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1gdj h LYS 116 Cb 0.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1gdj h LYS 116 CO -0.01 0.66 -0.05 1.15 -0.57 0.00 0.00 179.45 180.63 1gdj h THR 117 N 0.29 1.08 -0.93 -0.16 2.02 -0.76 -2.68 112.91 111.76 1gdj h THR 117 Ca 0.03 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 1gdj h THR 117 Cb 0.78 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 1gdj h THR 117 CO 0.06 0.18 0.58 0.40 0.37 0.00 0.00 175.52 177.11 1gdj h ILE 118 N -0.51 1.25 -0.50 3.11 1.08 -1.06 -0.23 117.51 120.66 1gdj h ILE 118 Ca -0.01 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1gdj h ILE 118 Cb 0.41 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.05 1gdj h ILE 118 CO 0.02 0.26 0.27 0.50 -0.69 0.00 0.00 178.15 178.52 1gdj h LYS 119 N 1.28 0.52 -0.58 2.37 3.64 -1.16 -1.78 116.57 120.86 1gdj h LYS 119 Ca 0.34 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.58 1gdj h LYS 119 Cb -0.08 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1gdj h LYS 119 CO -0.07 0.34 -0.04 0.93 -2.27 0.00 0.00 179.45 178.35 1gdj h GLU 120 N 0.54 1.04 0.14 1.90 5.08 -1.13 -1.61 114.58 120.53 1gdj h GLU 120 Ca 0.21 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1gdj h GLU 120 Cb 0.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gdj h GLU 120 CO -0.13 1.04 -0.07 0.28 -1.00 0.00 0.00 179.01 179.13 1gdj h VAL 121 N 0.94 0.91 0.00 3.13 2.07 -0.46 -3.11 116.25 119.73 1gdj h VAL 121 Ca 0.16 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1gdj h VAL 121 Cb 0.59 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1gdj h VAL 121 CO 0.04 0.05 -0.17 -0.37 0.02 0.00 0.00 177.57 177.13 1gdj h VAL 122 N -0.28 0.30 0.00 2.57 -1.51 -1.38 -3.49 116.25 112.46 1gdj h VAL 122 Ca -0.02 -1.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 1gdj h VAL 122 Cb 0.22 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1gdj h VAL 122 CO 0.03 0.17 0.00 0.61 -1.23 0.00 0.00 177.57 177.15 1gdj n GLY 123 N 1.14 3.37 0.30 5.19 0.00 -0.61 -2.19 105.19 112.38 1gdj n GLY 123 Ca 0.03 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.06 1gdj n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdj h ALA 124 N -0.98 1.00 0.00 4.61 0.00 -1.93 -1.89 119.26 120.07 1gdj h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gdj h ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gdj h ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1gdj n LYS 125 N -2.90 0.38 -1.95 0.00 5.02 -0.93 -4.90 118.16 112.89 1gdj n LYS 125 Ca -0.03 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1gdj n LYS 125 Cb 0.06 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1gdj n LYS 125 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1gdj s TRP 126 N -2.45 2.56 0.10 2.13 -0.00 -0.71 -5.02 118.94 115.56 1gdj s TRP 126 Ca 0.22 1.40 -0.04 0.00 -0.00 0.00 0.00 56.10 57.67 1gdj s TRP 126 Cb 0.14 -3.71 -0.02 0.00 -0.00 0.00 0.00 33.47 29.88 1gdj s TRP 126 CO 0.30 -2.43 0.10 -1.54 -0.00 0.00 0.00 176.95 173.38 1gdj s SER 127 N -0.90 0.27 0.20 5.86 1.04 -1.26 -5.05 113.70 113.85 1gdj s SER 127 Ca 0.65 -0.93 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 1gdj s SER 127 Cb -0.38 0.30 0.12 0.00 0.10 0.00 0.00 66.02 66.17 1gdj s SER 127 CO 0.47 -0.72 1.64 -0.33 0.98 0.00 0.00 173.24 175.28 1gdj h GLU 128 N 2.87 0.95 -0.61 4.02 5.08 -1.99 -2.61 114.58 122.28 1gdj h GLU 128 Ca -0.34 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 57.66 1gdj h GLU 128 Cb 1.19 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1gdj h GLU 128 CO 0.59 1.00 0.26 1.49 -1.00 0.00 0.00 179.01 181.34 1gdj h GLU 129 N 0.85 0.88 0.16 2.33 4.57 -1.99 -1.26 114.58 120.12 1gdj h GLU 129 Ca 0.14 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1gdj h GLU 129 Cb 0.64 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1gdj h GLU 129 CO 0.04 0.72 -0.08 1.25 -1.18 0.00 0.00 179.01 179.76 1gdj h LEU 130 N 0.87 -0.18 -0.09 1.64 5.85 -1.90 -1.55 115.31 119.96 1gdj h LEU 130 Ca 0.21 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1gdj h LEU 130 Cb 0.15 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1gdj h LEU 130 CO -0.02 0.01 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.85 1gdj h ASN 131 N -0.36 -0.35 -0.07 1.25 -0.73 -1.18 -2.19 115.58 111.96 1gdj h ASN 131 Ca -0.02 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 1gdj h ASN 131 Cb 0.29 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1gdj h ASN 131 CO 0.04 -0.15 -0.03 0.77 -0.37 0.00 0.00 177.43 177.68 1gdj h SER 132 N -0.15 0.24 0.13 1.15 4.64 -1.24 -1.62 113.55 116.70 1gdj h SER 132 Ca 0.07 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1gdj h SER 132 Cb 0.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1gdj h SER 132 CO -0.18 0.32 -0.06 0.00 -0.87 0.00 0.00 176.83 176.04 1gdj h ALA 133 N 1.71 -0.18 -0.86 5.18 0.00 -0.99 -1.38 119.26 122.74 1gdj h ALA 133 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gdj h ALA 133 Cb 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1gdj h ALA 133 CO 0.01 -0.44 0.51 -1.49 0.00 0.00 0.00 179.25 177.84 1gdj h TRP 134 N -0.50 1.13 0.29 0.00 4.06 -1.33 -2.19 115.95 117.42 1gdj h TRP 134 Ca -0.02 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1gdj h TRP 134 Cb 0.40 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1gdj h TRP 134 CO 0.03 0.76 -0.18 1.15 -3.56 0.00 0.00 178.44 176.64 1gdj h THR 135 N 1.19 0.62 -0.29 1.49 2.02 -1.07 0.70 112.91 117.56 1gdj h THR 135 Ca 0.31 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 1gdj h THR 135 Cb -0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1gdj h THR 135 CO -0.06 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.40 1gdj h ILE 136 N -0.45 1.12 -0.68 3.11 2.04 -1.13 0.54 117.51 122.06 1gdj h ILE 136 Ca -0.03 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 1gdj h ILE 136 Cb 0.38 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1gdj h ILE 136 CO 0.03 0.12 0.17 0.00 0.00 0.00 0.00 178.15 178.46 1gdj h ALA 137 N 1.05 1.02 0.03 1.87 0.00 -1.22 -1.72 119.26 120.28 1gdj h ALA 137 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gdj h ALA 137 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1gdj h ALA 137 CO -0.02 0.64 -0.02 -0.92 0.00 0.00 0.00 179.25 178.94 1gdj h TYR 138 N 1.02 -0.04 -0.68 0.00 5.03 -0.53 -1.84 116.97 119.93 1gdj h TYR 138 Ca 0.21 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.56 1gdj h TYR 138 Cb 0.35 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.60 1gdj h TYR 138 CO 0.03 0.24 0.41 -0.44 -1.32 0.00 0.00 178.16 177.08 1gdj h ASP 139 N -0.32 0.65 -0.33 -2.11 3.32 -0.74 0.75 116.42 117.63 1gdj h ASP 139 Ca -0.00 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1gdj h ASP 139 Cb 0.30 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1gdj h ASP 139 CO 0.01 0.44 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.19 1gdj h GLU 140 N 0.79 0.89 0.01 3.56 4.39 -1.34 -1.77 114.58 121.12 1gdj h GLU 140 Ca 0.29 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 1gdj h GLU 140 Cb 0.08 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1gdj h GLU 140 CO -0.14 1.16 -0.01 1.25 -1.16 0.00 0.00 179.01 180.12 1gdj h LEU 141 N 0.69 -0.02 -0.89 1.33 5.85 -1.23 -3.06 115.31 117.98 1gdj h LEU 141 Ca 0.04 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1gdj h LEU 141 Cb 1.05 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 1gdj h LEU 141 CO 0.11 0.23 0.53 0.00 -0.34 0.00 0.00 178.44 178.96 1gdj h ALA 142 N 0.72 1.31 -0.47 1.25 0.00 -0.74 -0.48 119.26 120.84 1gdj h ALA 142 Ca -0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1gdj h ALA 142 Cb 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1gdj h ALA 142 CO 0.00 0.14 0.14 0.82 0.00 0.00 0.00 179.25 180.35 1gdj h ILE 143 N 0.86 0.81 -0.23 0.00 2.04 -1.24 0.17 117.51 119.92 1gdj h ILE 143 Ca 0.44 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 66.06 1gdj h ILE 143 Cb 0.42 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1gdj h ILE 143 CO -0.26 0.05 -0.43 0.58 0.00 0.00 0.00 178.15 178.10 1gdj h VAL 144 N 0.30 1.30 -0.12 1.67 2.07 -1.34 -2.13 116.25 118.01 1gdj h VAL 144 Ca 0.22 -1.61 -0.13 0.00 0.82 0.00 0.00 66.70 66.01 1gdj h VAL 144 Cb 0.25 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1gdj h VAL 144 CO -0.25 0.51 -0.44 0.40 0.02 0.00 0.00 177.57 177.81 1gdj h ILE 145 N 0.46 1.37 -0.74 4.57 2.04 -0.56 -2.85 117.51 121.80 1gdj h ILE 145 Ca 0.03 -1.75 0.07 0.00 1.00 0.00 0.00 64.86 64.22 1gdj h ILE 145 Cb 0.94 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1gdj h ILE 145 CO 0.08 0.52 0.48 0.11 0.00 0.00 0.00 178.15 179.35 1gdj h LYS 146 N 0.10 0.71 0.09 2.37 1.57 -0.94 -1.65 116.57 118.83 1gdj h LYS 146 Ca -0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1gdj h LYS 146 Cb 1.07 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1gdj h LYS 146 CO 0.09 0.47 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.18 1gdj h LYS 147 N 0.73 -0.12 -0.20 3.15 3.64 -1.32 -1.52 116.57 120.94 1gdj h LYS 147 Ca 0.32 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1gdj h LYS 147 Cb 0.32 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1gdj h LYS 147 CO -0.11 0.09 -0.04 0.93 -2.27 0.00 0.00 179.45 178.05 1gdj h GLU 148 N -0.31 0.29 0.00 1.90 4.39 -1.17 -0.26 114.58 119.43 1gdj h GLU 148 Ca -0.01 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1gdj h GLU 148 Cb 0.26 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1gdj h GLU 148 CO 0.02 0.35 -0.00 0.52 -1.16 0.00 0.00 179.01 178.74 1gdj h MET 149 N 0.29 -0.00 -0.67 2.33 2.86 -1.13 0.80 114.93 119.40 1gdj h MET 149 Ca 0.07 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1gdj h MET 149 Cb 0.26 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 1gdj h MET 149 CO 0.01 0.24 0.25 0.22 1.06 0.00 0.00 176.91 178.69 1gdj h ASP 150 N -0.24 0.23 1.28 1.22 3.58 -0.93 -1.23 116.42 120.33 1gdj h ASP 150 Ca -0.00 0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 1gdj h ASP 150 Cb 0.24 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1gdj h ASP 150 CO 0.00 0.11 -0.51 0.44 -2.88 0.00 0.00 179.24 176.40 1gdj h ASP 151 N 0.41 0.00 0.60 2.28 5.19 -0.79 -3.24 116.42 120.87 1gdj h ASP 151 Ca 0.35 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.54 1gdj h ASP 151 Cb 0.49 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1gdj h ASP 151 CO -0.36 0.51 -1.01 0.00 -3.12 0.00 0.00 179.24 175.27 1gdj h ALA 152 N 1.49 0.35 -0.01 3.45 0.00 0.14 -3.50 119.26 121.18 1gdj h ALA 152 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1gdj h ALA 152 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1gdj h ALA 152 CO 0.07 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.27