#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdl n ALA 2 N 0.00 2.17 -2.07 4.61 0.00 -1.26 -5.08 120.51 118.88 1gdl n ALA 2 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1gdl n ALA 2 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1gdl n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gdl n LEU 3 N 0.00 -4.24 -4.92 0.00 4.77 -1.26 -4.58 117.00 106.77 1gdl n LEU 3 Ca -0.13 1.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.74 1gdl n LEU 3 Cb 0.51 -2.19 0.07 0.00 -2.33 0.00 0.00 43.42 39.48 1gdl n LEU 3 CO -0.06 -2.06 0.64 0.42 -1.33 0.00 0.00 177.39 175.00 1gdl s THR 4 N -0.40 2.37 0.28 -5.08 -4.23 -1.26 -4.42 115.64 102.91 1gdl s THR 4 Ca -0.14 -0.19 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1gdl s THR 4 Cb 0.01 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 1gdl s THR 4 CO 0.41 -0.05 1.64 -0.08 -0.54 0.00 0.00 174.62 176.00 1gdl h GLU 5 N -0.63 0.04 0.00 3.99 4.81 -1.97 -2.14 114.58 118.67 1gdl h GLU 5 Ca -0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1gdl h GLU 5 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1gdl h GLU 5 CO 0.61 0.60 -0.03 0.66 -0.73 0.00 0.00 179.01 180.12 1gdl h SER 6 N 0.03 0.00 -0.07 1.04 4.64 -2.00 -2.48 113.55 114.72 1gdl h SER 6 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1gdl h SER 6 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1gdl h SER 6 CO 0.08 0.03 -0.84 1.56 -0.87 0.00 0.00 176.83 176.79 1gdl h GLN 7 N 0.00 0.69 -0.68 4.77 4.20 -1.86 -2.83 115.11 119.40 1gdl h GLN 7 Ca -0.00 -0.65 -0.07 0.00 0.06 0.00 0.00 58.65 57.99 1gdl h GLN 7 Cb 0.91 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1gdl h GLN 7 CO 0.00 1.25 0.16 0.00 -0.67 0.00 0.00 178.83 179.57 1gdl h ALA 8 N 0.45 1.00 -0.36 3.87 0.00 -1.36 -1.72 119.26 121.14 1gdl h ALA 8 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1gdl h ALA 8 Cb 1.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1gdl h ALA 8 CO 0.17 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.30 1gdl h ALA 9 N 1.14 0.46 -0.27 0.00 0.00 -1.43 -1.51 119.26 117.65 1gdl h ALA 9 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1gdl h ALA 9 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1gdl h ALA 9 CO 0.00 -0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.20 1gdl h LEU 10 N 0.49 0.40 -0.31 0.00 3.38 -1.34 -0.48 115.31 117.44 1gdl h LEU 10 Ca 0.13 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1gdl h LEU 10 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1gdl h LEU 10 CO -0.03 0.49 0.14 0.58 0.09 0.00 0.00 178.44 179.71 1gdl h VAL 11 N 0.28 0.96 -0.84 1.22 2.07 -1.15 0.03 116.25 118.82 1gdl h VAL 11 Ca 0.09 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1gdl h VAL 11 Cb 0.23 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1gdl h VAL 11 CO -0.00 0.05 0.46 0.50 0.02 0.00 0.00 177.57 178.60 1gdl h LYS 12 N 0.29 1.17 0.11 1.57 3.64 -1.21 0.42 116.57 122.56 1gdl h LYS 12 Ca 0.13 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1gdl h LYS 12 Cb 0.07 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1gdl h LYS 12 CO -0.11 0.86 -0.06 1.03 -2.27 0.00 0.00 179.45 178.91 1gdl h SER 13 N 1.17 -0.13 0.75 4.20 0.87 -0.82 0.42 113.55 120.01 1gdl h SER 13 Ca 0.29 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1gdl h SER 13 Cb 0.03 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1gdl h SER 13 CO -0.05 0.09 -0.29 0.77 -0.53 0.00 0.00 176.83 176.82 1gdl h SER 14 N -0.35 0.00 -0.27 6.23 4.64 -0.92 -2.26 113.55 120.61 1gdl h SER 14 Ca -0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1gdl h SER 14 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1gdl h SER 14 CO 0.03 0.29 -0.20 -0.25 -0.87 0.00 0.00 176.83 175.83 1gdl h TRP 15 N 0.00 0.72 -0.35 4.77 7.01 -0.62 -1.36 115.95 126.12 1gdl h TRP 15 Ca -0.00 -0.20 -0.08 0.00 2.11 0.00 0.00 58.89 60.72 1gdl h TRP 15 Cb 0.75 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1gdl h TRP 15 CO 0.00 0.89 -0.13 0.93 -2.79 0.00 0.00 178.44 177.35 1gdl h GLU 16 N 0.35 0.62 -0.52 2.65 5.08 -0.52 -1.89 114.58 120.35 1gdl h GLU 16 Ca 0.05 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1gdl h GLU 16 Cb 0.74 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1gdl h GLU 16 CO 0.05 0.73 0.05 0.93 -1.00 0.00 0.00 179.01 179.77 1gdl h GLU 17 N 0.57 0.84 0.11 2.33 5.08 -1.27 -2.66 114.58 119.57 1gdl h GLU 17 Ca 0.10 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1gdl h GLU 17 Cb 0.55 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1gdl h GLU 17 CO 0.03 0.81 -0.06 0.35 -1.00 0.00 0.00 179.01 179.15 1gdl h PHE 18 N 0.79 -0.15 -0.18 4.33 3.57 -0.95 -2.98 116.94 121.37 1gdl h PHE 18 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1gdl h PHE 18 Cb 0.41 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1gdl h PHE 18 CO 0.02 -0.09 0.12 -0.97 -2.23 0.00 0.00 178.31 175.16 1gdl h ASN 19 N -0.15 0.10 -0.80 0.41 -1.24 -1.28 -2.59 115.58 110.03 1gdl h ASN 19 Ca -0.01 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.04 1gdl h ASN 19 Cb 0.12 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 1gdl h ASN 19 CO 0.02 0.07 0.52 0.00 -1.29 0.00 0.00 177.43 176.76 1gdl h ALA 20 N 1.90 1.57 -2.66 1.57 0.00 -1.31 -3.27 119.26 117.06 1gdl h ALA 20 Ca 0.08 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.35 1gdl h ALA 20 Cb 0.16 -0.25 -0.40 0.00 0.00 0.00 0.00 17.79 17.30 1gdl h ALA 20 CO -0.01 0.33 -0.77 -1.71 0.00 0.00 0.00 179.25 177.09 1gdl n ASN 21 N -4.47 1.47 -0.15 0.00 4.05 -0.98 -4.97 115.26 110.22 1gdl n ASN 21 Ca 0.11 -2.86 -0.09 0.00 0.45 0.00 0.00 54.58 52.20 1gdl n ASN 21 Cb 0.16 -0.66 -0.00 0.00 1.23 0.00 0.00 39.78 40.51 1gdl n ASN 21 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1gdl h ILE 22 N 4.24 1.20 -0.21 -1.44 1.08 -1.66 0.60 117.51 121.32 1gdl h ILE 22 Ca 0.20 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1gdl h ILE 22 Cb 0.82 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1gdl h ILE 22 CO 0.57 0.22 -0.13 -0.65 -0.69 0.00 0.00 178.15 177.47 1gdl h PRO 23 N 0.54 -0.12 0.08 2.37 0.11 -1.92 0.21 132.00 133.27 1gdl h PRO 23 Ca 0.14 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1gdl h PRO 23 Cb 0.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1gdl h PRO 23 CO -0.01 -0.08 -0.04 -0.22 -0.21 0.00 0.00 178.00 177.44 1gdl h LYS 24 N -0.13 -0.10 -0.10 1.05 3.64 -1.77 -2.22 116.57 116.93 1gdl h LYS 24 Ca 0.12 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 1gdl h LYS 24 Cb 0.30 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1gdl h LYS 24 CO -0.29 0.14 -0.76 0.45 -2.27 0.00 0.00 179.45 176.72 1gdl h HIS 25 N -0.33 0.77 -0.02 1.91 3.86 -0.55 -1.58 115.15 119.20 1gdl h HIS 25 Ca -0.01 -0.35 -0.10 0.00 -1.16 0.00 0.00 60.37 58.75 1gdl h HIS 25 Cb 0.29 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1gdl h HIS 25 CO 0.00 1.14 -0.47 1.79 0.86 0.00 0.00 177.93 181.25 1gdl h THR 26 N 0.38 1.34 -0.31 2.45 1.35 -0.68 -0.31 112.91 117.13 1gdl h THR 26 Ca -0.04 -1.63 -0.08 0.00 -0.55 0.00 0.00 66.41 64.10 1gdl h THR 26 Cb 1.36 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.63 1gdl h THR 26 CO 0.14 0.47 -0.12 -0.74 -0.25 0.00 0.00 175.52 175.02 1gdl h HIS 27 N 0.04 0.72 -0.87 4.73 -0.00 -0.73 -3.12 115.15 115.92 1gdl h HIS 27 Ca -0.00 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.22 1gdl h HIS 27 Cb 0.85 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 28.04 1gdl h HIS 27 CO 0.00 0.84 0.58 -0.09 -0.00 0.00 0.00 177.93 179.26 1gdl h ARG 28 N 0.40 1.09 -0.14 5.26 9.65 -0.93 -1.68 114.38 128.02 1gdl h ARG 28 Ca 0.07 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1gdl h ARG 28 Cb 0.63 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1gdl h ARG 28 CO 0.04 0.72 0.09 0.35 2.80 0.00 0.00 179.97 183.98 1gdl h PHE 29 N 1.12 0.18 -0.18 2.20 3.57 -1.00 -1.97 116.94 120.87 1gdl h PHE 29 Ca 0.34 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 1gdl h PHE 29 Cb -0.03 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1gdl h PHE 29 CO -0.00 0.12 -0.22 0.74 -2.23 0.00 0.00 178.31 176.72 1gdl h PHE 30 N 0.19 0.34 -0.36 0.41 0.04 -1.52 0.38 116.94 116.41 1gdl h PHE 30 Ca 0.05 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1gdl h PHE 30 Cb -0.02 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1gdl h PHE 30 CO -0.07 0.51 0.12 0.82 -0.60 0.00 0.00 178.31 179.10 1gdl h ILE 31 N 0.28 0.89 0.00 -0.55 1.08 -0.96 -1.45 117.51 116.80 1gdl h ILE 31 Ca 0.05 -0.09 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 1gdl h ILE 31 Cb 0.55 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1gdl h ILE 31 CO 0.04 0.05 -0.47 -0.07 -0.69 0.00 0.00 178.15 177.01 1gdl h LEU 32 N 0.27 0.00 0.15 1.44 3.38 -0.23 -1.06 115.31 119.25 1gdl h LEU 32 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1gdl h LEU 32 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1gdl h LEU 32 CO -0.17 0.47 -0.07 0.58 0.09 0.00 0.00 178.44 179.34 1gdl h VAL 33 N 0.00 0.90 0.00 1.22 2.07 0.08 -2.65 116.25 117.87 1gdl h VAL 33 Ca -0.00 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1gdl h VAL 33 Cb 0.95 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1gdl h VAL 33 CO 0.06 0.04 -0.44 -0.07 0.02 0.00 0.00 177.57 177.19 1gdl h LEU 34 N -0.28 0.00 -1.39 2.57 4.07 -0.99 -1.44 115.31 117.84 1gdl h LEU 34 Ca -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 1gdl h LEU 34 Cb 0.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1gdl h LEU 34 CO 0.03 0.44 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.30 1gdl h GLU 35 N 0.00 0.15 0.12 1.13 5.08 -1.05 -2.59 114.58 117.43 1gdl h GLU 35 Ca -0.00 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1gdl h GLU 35 Cb 0.79 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1gdl h GLU 35 CO 0.06 0.35 -1.23 0.82 -1.00 0.00 0.00 179.01 178.01 1gdl h ILE 36 N 0.14 1.18 -2.33 3.13 2.04 -1.10 -3.44 117.51 117.13 1gdl h ILE 36 Ca 0.03 -2.44 -0.54 0.00 1.00 0.00 0.00 64.86 62.91 1gdl h ILE 36 Cb 0.44 2.86 -0.36 0.00 -0.74 0.00 0.00 36.82 39.02 1gdl h ILE 36 CO 0.03 0.70 -0.87 0.00 0.00 0.00 0.00 178.15 178.01 1gdl s ALA 37 N -2.46 0.83 0.44 1.87 0.00 -0.58 -5.00 121.76 116.86 1gdl s ALA 37 Ca -0.18 -1.96 0.11 0.00 0.00 0.00 0.00 51.96 49.93 1gdl s ALA 37 Cb 0.03 -1.70 1.00 0.00 0.00 0.00 0.00 23.12 22.45 1gdl s ALA 37 CO 0.78 -2.06 2.05 -1.00 0.00 0.00 0.00 175.76 175.54 1gdl h PRO 38 N 6.27 0.38 -0.04 0.00 0.13 -1.68 0.28 132.00 137.34 1gdl h PRO 38 Ca 0.16 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1gdl h PRO 38 Cb 0.96 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 1gdl h PRO 38 CO 0.29 0.25 0.11 0.00 -0.23 0.00 0.00 178.00 178.43 1gdl h ALA 39 N 1.77 1.33 0.00 -0.56 0.00 -1.95 -2.67 119.26 117.19 1gdl h ALA 39 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gdl h ALA 39 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gdl h ALA 39 CO -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1gdl h ALA 40 N 1.82 1.00 -0.66 0.00 0.00 -0.80 -3.32 119.26 117.30 1gdl h ALA 40 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1gdl h ALA 40 Cb 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 1gdl h ALA 40 CO -0.00 0.00 -0.06 -0.22 0.00 0.00 0.00 179.25 178.97 1gdl h LYS 41 N 0.00 0.06 -0.01 0.00 3.64 -1.66 -2.35 116.57 116.25 1gdl h LYS 41 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gdl h LYS 41 Cb 0.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1gdl h LYS 41 CO 0.00 0.04 0.04 -0.44 -2.27 0.00 0.00 179.45 176.83 1gdl h ASP 42 N 0.06 0.00 0.69 4.20 3.32 -1.84 -2.10 116.42 120.76 1gdl h ASP 42 Ca 0.34 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 1gdl h ASP 42 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1gdl h ASP 42 CO -0.62 0.00 -0.47 -0.07 -1.72 0.00 0.00 179.24 176.36 1gdl h LEU 43 N 0.00 0.00 -8.78 1.55 3.38 -1.69 -3.44 115.31 106.33 1gdl h LEU 43 Ca 0.01 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1gdl h LEU 43 Cb 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.69 1gdl h LEU 43 CO -0.00 0.47 -0.07 -0.36 0.09 0.00 0.00 178.44 178.57 1gdl s PHE 44 N -3.68 3.19 0.27 1.13 0.08 -0.79 -4.96 117.98 113.21 1gdl s PHE 44 Ca -0.01 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 1gdl s PHE 44 Cb 0.12 -2.88 0.48 0.00 -0.57 0.00 0.00 43.02 40.17 1gdl s PHE 44 CO 0.72 -0.51 1.83 0.66 -0.10 0.00 0.00 175.22 177.83 1gdl h SER 45 N 8.42 0.86 -0.04 1.36 4.64 -1.85 0.09 113.55 127.04 1gdl h SER 45 Ca -0.28 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1gdl h SER 45 Cb 1.13 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1gdl h SER 45 CO 0.76 0.48 0.00 2.22 -0.87 0.00 0.00 176.83 179.42 1gdl n PHE 46 N -4.64 0.04 -0.03 4.77 1.16 -1.26 -3.28 117.46 114.22 1gdl n PHE 46 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 57.45 55.73 1gdl n PHE 46 Cb 0.31 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 1gdl n PHE 46 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1gdl n LEU 47 N -0.13 0.00 -4.71 5.98 4.77 -0.16 -4.84 117.00 117.91 1gdl n LEU 47 Ca 0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.77 1gdl n LEU 47 Cb 0.27 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1gdl n LEU 47 CO 0.16 0.15 0.90 0.29 -1.33 0.00 0.00 177.39 177.56 1gdl n LYS 48 N -2.18 1.87 -3.85 3.23 5.02 -0.18 -2.80 118.16 119.27 1gdl n LYS 48 Ca -0.11 0.67 -0.25 0.00 -2.02 0.00 0.00 58.31 56.60 1gdl n LYS 48 Cb 0.61 -2.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.19 1gdl n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gdl n GLY 49 N 0.80 -0.33 3.11 0.72 0.00 -1.26 -4.98 105.19 103.24 1gdl n GLY 49 Ca 0.07 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1gdl n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gdl s THR 50 N -3.64 0.59 -0.13 2.61 -4.23 -1.12 -5.10 115.64 104.62 1gdl s THR 50 Ca 0.20 -1.44 -0.06 0.00 -1.18 0.00 0.00 61.69 59.20 1gdl s THR 50 Cb -0.10 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1gdl s THR 50 CO 0.84 -0.60 -0.09 -1.28 -0.54 0.00 0.00 174.62 172.96 1gdl h SER 51 N 3.85 0.00 -2.62 3.99 0.87 -1.94 -3.48 113.55 114.22 1gdl h SER 51 Ca -0.36 -0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 59.62 1gdl h SER 51 Cb 1.19 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 1gdl h SER 51 CO 0.51 0.69 -0.56 -1.61 -0.53 0.00 0.00 176.83 175.33 1gdl s GLU 52 N -2.00 2.91 0.18 2.24 2.02 -1.26 -5.07 118.70 117.73 1gdl s GLU 52 Ca -0.10 -0.90 -0.32 0.00 0.02 0.00 0.00 54.97 53.68 1gdl s GLU 52 Cb 0.01 -2.64 -0.11 0.00 0.10 0.00 0.00 34.13 31.50 1gdl s GLU 52 CO 0.16 0.47 1.60 0.08 0.02 0.00 0.00 175.26 177.59 1gdl s VAL 53 N -1.81 2.47 0.48 2.63 1.01 -1.26 -4.92 120.40 119.00 1gdl s VAL 53 Ca 0.31 0.34 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 1gdl s VAL 53 Cb -0.10 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1gdl s VAL 53 CO 0.24 0.03 1.33 -0.81 0.00 0.00 0.00 175.10 175.88 1gdl n PRO 54 N 3.90 1.88 -0.04 2.72 -0.04 -1.26 -4.92 135.00 137.24 1gdl n PRO 54 Ca 0.14 0.68 0.04 0.00 -0.04 0.00 0.00 63.50 64.32 1gdl n PRO 54 Cb 0.38 -2.51 -0.16 0.00 -0.04 0.00 0.00 33.50 31.17 1gdl n PRO 54 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1gdl n GLN 55 N -0.44 0.67 -2.56 0.54 1.13 -1.26 -4.60 117.38 110.86 1gdl n GLN 55 Ca 0.08 -0.12 -0.18 0.00 -1.94 0.00 0.00 57.00 54.83 1gdl n GLN 55 Cb 0.42 -1.53 0.01 0.00 0.11 0.00 0.00 30.24 29.26 1gdl n GLN 55 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1gdl n ASN 56 N -2.44 3.18 -4.68 1.08 4.13 -1.26 -4.87 115.26 110.40 1gdl n ASN 56 Ca -0.14 -3.23 -0.37 0.00 1.68 0.00 0.00 54.58 52.52 1gdl n ASN 56 Cb 0.77 -0.49 -0.08 0.00 -1.54 0.00 0.00 39.78 38.44 1gdl n ASN 56 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1gdl s ASN 57 N -3.36 6.28 0.43 6.41 3.84 -1.26 -4.97 114.94 122.31 1gdl s ASN 57 Ca 0.38 0.31 0.21 0.00 0.21 0.00 0.00 52.86 53.98 1gdl s ASN 57 Cb 0.43 -2.16 0.96 0.00 -0.55 0.00 0.00 41.25 39.92 1gdl s ASN 57 CO -0.08 0.02 1.86 1.55 -2.79 0.00 0.00 177.10 177.67 1gdl h PRO 58 N 7.31 0.00 -0.03 0.43 0.13 -1.99 -2.65 132.00 135.20 1gdl h PRO 58 Ca -0.38 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.63 1gdl h PRO 58 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1gdl h PRO 58 CO 0.70 0.27 -0.45 0.93 -0.23 0.00 0.00 178.00 179.22 1gdl h GLU 59 N 0.00 0.36 -0.70 0.86 5.08 -1.99 -1.19 114.58 117.00 1gdl h GLU 59 Ca -0.00 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1gdl h GLU 59 Cb 0.67 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1gdl h GLU 59 CO 0.04 1.01 0.45 1.25 -1.00 0.00 0.00 179.01 180.76 1gdl h LEU 60 N -0.17 0.78 -0.39 1.33 6.46 -1.89 -1.47 115.31 119.96 1gdl h LEU 60 Ca -0.05 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1gdl h LEU 60 Cb 1.14 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1gdl h LEU 60 CO 0.09 0.55 -0.11 1.56 -0.62 0.00 0.00 178.44 179.92 1gdl h GLN 61 N 0.92 0.76 -0.16 1.25 4.20 -1.51 -1.67 115.11 118.90 1gdl h GLN 61 Ca 0.26 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1gdl h GLN 61 Cb -0.07 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1gdl h GLN 61 CO -0.07 0.90 0.01 0.00 -0.67 0.00 0.00 178.83 179.00 1gdl h ALA 62 N 0.83 0.21 0.74 3.87 0.00 -0.91 -1.66 119.26 122.34 1gdl h ALA 62 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1gdl h ALA 62 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1gdl h ALA 62 CO 0.04 -0.09 -0.48 1.25 0.00 0.00 0.00 179.25 179.97 1gdl h HIS 63 N 0.03 -1.28 -0.15 0.00 -0.00 -1.27 -2.43 115.15 110.05 1gdl h HIS 63 Ca 0.05 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1gdl h HIS 63 Cb 0.36 0.46 -0.01 0.00 -0.00 0.00 0.00 27.41 28.22 1gdl h HIS 63 CO 0.03 -0.71 -0.23 0.00 -0.00 0.00 0.00 177.93 177.02 1gdl h ALA 64 N -1.04 1.34 -0.36 5.26 0.00 -1.35 -1.11 119.26 122.00 1gdl h ALA 64 Ca -0.10 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1gdl h ALA 64 Cb 0.93 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1gdl h ALA 64 CO 0.08 0.45 -0.21 0.78 0.00 0.00 0.00 179.25 180.35 1gdl h GLY 65 N 0.93 0.75 0.97 0.00 0.00 -1.33 -2.69 103.07 101.70 1gdl h GLY 65 Ca 0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.63 1gdl h GLY 65 CO 0.04 0.56 -0.29 0.50 0.00 0.00 0.00 176.54 177.36 1gdl h LYS 66 N 0.61 0.70 -0.16 4.80 1.57 -0.73 -2.29 116.57 121.07 1gdl h LYS 66 Ca 0.09 -0.37 0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1gdl h LYS 66 Cb 0.69 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 1gdl h LYS 66 CO 0.05 0.98 -0.15 0.28 -0.57 0.00 0.00 179.45 180.04 1gdl h VAL 67 N 0.44 0.59 -0.42 0.50 2.07 -1.18 -1.38 116.25 116.87 1gdl h VAL 67 Ca 0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1gdl h VAL 67 Cb 0.85 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1gdl h VAL 67 CO 0.07 0.00 -0.16 -0.26 0.02 0.00 0.00 177.57 177.24 1gdl h PHE 68 N -0.17 0.88 -0.54 1.57 -1.00 -1.47 -2.36 116.94 113.85 1gdl h PHE 68 Ca 0.11 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.68 1gdl h PHE 68 Cb 0.32 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 1gdl h PHE 68 CO -0.28 0.89 0.23 -0.22 -1.61 0.00 0.00 178.31 177.32 1gdl h LYS 69 N 0.70 0.79 -0.23 1.51 3.64 -1.35 -0.93 116.57 120.69 1gdl h LYS 69 Ca 0.11 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1gdl h LYS 69 Cb 0.66 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1gdl h LYS 69 CO 0.05 0.67 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.43 1gdl h LEU 70 N 0.72 0.57 -0.38 5.20 3.38 -0.89 -0.80 115.31 123.11 1gdl h LEU 70 Ca 0.18 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1gdl h LEU 70 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1gdl h LEU 70 CO -0.02 0.90 -0.07 0.58 0.09 0.00 0.00 178.44 179.93 1gdl h VAL 71 N 0.44 1.27 -0.60 1.22 2.07 -1.10 -1.73 116.25 117.82 1gdl h VAL 71 Ca 0.04 -1.13 0.01 0.00 0.82 0.00 0.00 66.70 66.44 1gdl h VAL 71 Cb 0.89 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1gdl h VAL 71 CO 0.08 0.38 0.40 0.22 0.02 0.00 0.00 177.57 178.66 1gdl h TYR 72 N 0.52 0.75 -0.08 1.57 3.20 -1.04 -1.26 116.97 120.62 1gdl h TYR 72 Ca 0.10 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1gdl h TYR 72 Cb 0.57 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1gdl h TYR 72 CO 0.05 0.46 -0.32 0.93 -1.64 0.00 0.00 178.16 177.64 1gdl h GLU 73 N 0.80 0.15 -0.58 1.82 5.08 -1.04 -2.29 114.58 118.52 1gdl h GLU 73 Ca 0.22 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1gdl h GLU 73 Cb -0.08 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1gdl h GLU 73 CO -0.06 0.46 0.10 0.00 -1.00 0.00 0.00 179.01 178.51 1gdl h ALA 74 N 1.55 0.77 -0.02 3.43 0.00 -0.96 -1.42 119.26 122.61 1gdl h ALA 74 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1gdl h ALA 74 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1gdl h ALA 74 CO 0.05 0.51 -0.40 0.00 0.00 0.00 0.00 179.25 179.41 1gdl h ALA 75 N 1.01 1.30 -0.15 0.00 0.00 -0.69 -0.60 119.26 120.13 1gdl h ALA 75 Ca 0.18 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1gdl h ALA 75 Cb 0.41 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1gdl h ALA 75 CO 0.01 0.52 -0.75 0.82 0.00 0.00 0.00 179.25 179.85 1gdl h ILE 76 N 0.04 1.30 -0.53 0.00 1.08 -1.13 -2.92 117.51 115.35 1gdl h ILE 76 Ca 0.00 -1.98 -0.02 0.00 -0.39 0.00 0.00 64.86 62.47 1gdl h ILE 76 Cb 0.72 1.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 1gdl h ILE 76 CO 0.05 0.62 0.26 -0.61 -0.69 0.00 0.00 178.15 177.79 1gdl h GLN 77 N 0.50 0.75 -0.45 2.37 4.15 -0.96 -1.48 115.11 120.00 1gdl h GLN 77 Ca -0.04 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 1gdl h GLN 77 Cb 1.36 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 1gdl h GLN 77 CO 0.15 0.61 0.10 -0.07 -1.93 0.00 0.00 178.83 177.69 1gdl h LEU 78 N 0.70 0.62 0.18 -2.39 3.38 -1.13 0.32 115.31 117.01 1gdl h LEU 78 Ca 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gdl h LEU 78 Cb 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1gdl h LEU 78 CO -0.02 0.63 -0.09 -0.08 0.09 0.00 0.00 178.44 178.97 1gdl h GLU 79 N 0.65 -0.24 0.00 1.13 4.22 -1.29 -2.42 114.58 116.63 1gdl h GLU 79 Ca 0.15 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.60 1gdl h GLU 79 Cb 0.26 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1gdl h GLU 79 CO -0.00 0.15 -0.00 0.28 -2.18 0.00 0.00 179.01 177.25 1gdl h VAL 80 N -0.71 1.25 0.00 0.32 2.07 -1.19 -3.39 116.25 114.60 1gdl h VAL 80 Ca -0.03 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1gdl h VAL 80 Cb 0.50 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1gdl h VAL 80 CO 0.04 0.19 -0.90 0.35 0.02 0.00 0.00 177.57 177.28 1gdl n THR 81 N -4.94 0.00 0.00 2.57 -2.24 0.11 -5.01 114.28 104.77 1gdl n THR 81 Ca -0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1gdl n THR 81 Cb 0.17 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1gdl n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gdl n GLY 82 N 1.48 2.27 3.40 3.38 0.00 -0.91 -5.01 105.19 109.80 1gdl n GLY 82 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1gdl n GLY 82 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gdl s VAL 83 N -2.57 0.33 -0.27 1.61 -7.23 -1.26 -4.92 120.40 106.09 1gdl s VAL 83 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1gdl s VAL 83 Cb 0.00 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 1gdl s VAL 83 CO 0.00 0.00 0.06 -0.69 -0.31 0.00 0.00 175.10 174.16 1gdl s VAL 84 N -3.36 4.02 0.06 1.32 1.01 -1.26 -3.39 120.40 118.79 1gdl s VAL 84 Ca 0.31 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1gdl s VAL 84 Cb 0.03 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1gdl s VAL 84 CO 0.20 0.21 1.10 -0.69 0.00 0.00 0.00 175.10 175.92 1gdl s VAL 85 N 1.54 4.32 -0.17 2.92 1.01 -1.26 -5.04 120.40 123.72 1gdl s VAL 85 Ca 0.04 1.71 -0.27 0.00 0.00 0.00 0.00 61.98 63.46 1gdl s VAL 85 Cb -0.16 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1gdl s VAL 85 CO 0.02 0.16 0.93 -0.89 0.00 0.00 0.00 175.10 175.32 1gdl s THR 86 N 0.81 4.81 0.00 3.92 2.01 -1.26 -4.98 115.64 120.95 1gdl s THR 86 Ca 0.55 1.84 0.00 0.00 0.31 0.00 0.00 61.69 64.38 1gdl s THR 86 Cb -0.26 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.02 1gdl s THR 86 CO 0.30 -0.03 0.00 -0.90 -0.69 0.00 0.00 174.62 173.30 1gdl n ASP 87 N 5.42 1.45 -0.08 3.53 5.68 -1.26 -5.00 116.55 126.29 1gdl n ASP 87 Ca 0.07 -0.67 -0.10 0.00 -0.50 0.00 0.00 54.79 53.60 1gdl n ASP 87 Cb 0.48 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 1gdl n ASP 87 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gdl h ALA 88 N 1.00 0.35 -0.94 2.12 0.00 -1.98 -1.83 119.26 117.98 1gdl h ALA 88 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1gdl h ALA 88 Cb 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1gdl h ALA 88 CO 0.00 -0.09 0.58 1.15 0.00 0.00 0.00 179.25 180.90 1gdl h THR 89 N 0.31 1.00 0.00 0.00 2.02 -1.96 1.17 112.91 115.45 1gdl h THR 89 Ca 0.09 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1gdl h THR 89 Cb 0.12 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 1gdl h THR 89 CO -0.01 0.18 -0.54 -0.07 0.37 0.00 0.00 175.52 175.45 1gdl h LEU 90 N 1.01 0.00 -0.14 2.58 3.38 -1.90 0.21 115.31 120.46 1gdl h LEU 90 Ca 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.33 1gdl h LEU 90 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1gdl h LEU 90 CO -0.21 0.50 -0.16 0.11 0.09 0.00 0.00 178.44 178.77 1gdl h LYS 91 N 0.00 0.35 -0.92 1.13 1.57 -0.29 -2.50 116.57 115.92 1gdl h LYS 91 Ca -0.01 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1gdl h LYS 91 Cb 1.39 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.66 1gdl h LYS 91 CO 0.06 0.76 0.60 -0.97 -0.57 0.00 0.00 179.45 179.34 1gdl h ASN 92 N -0.04 1.02 -0.04 0.86 -1.24 0.14 -2.44 115.58 113.85 1gdl h ASN 92 Ca 0.02 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 1gdl h ASN 92 Cb 0.71 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1gdl h ASN 92 CO 0.04 0.72 -0.15 0.25 -1.29 0.00 0.00 177.43 177.01 1gdl h LEU 93 N 1.20 0.35 -0.48 0.34 5.85 -0.47 -2.52 115.31 119.59 1gdl h LEU 93 Ca 0.35 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 1gdl h LEU 93 Cb -0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1gdl h LEU 93 CO -0.09 0.53 -0.11 1.23 -0.34 0.00 0.00 178.44 179.66 1gdl h GLY 94 N 0.88 0.99 1.00 3.75 0.00 -0.97 -2.66 103.07 106.06 1gdl h GLY 94 Ca 0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.43 1gdl h GLY 94 CO 0.03 0.74 -0.48 1.48 0.00 0.00 0.00 176.54 178.31 1gdl h SER 95 N 0.76 0.78 -0.59 0.19 4.64 -1.46 -1.33 113.55 116.54 1gdl h SER 95 Ca 0.12 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1gdl h SER 95 Cb 0.66 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1gdl h SER 95 CO 0.05 1.20 0.37 -0.37 -0.87 0.00 0.00 176.83 177.20 1gdl h VAL 96 N 0.40 1.17 -0.18 0.95 -1.51 -1.48 0.19 116.25 115.79 1gdl h VAL 96 Ca -0.00 -0.35 -0.04 0.00 -1.23 0.00 0.00 66.70 65.07 1gdl h VAL 96 Cb 1.09 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1gdl h VAL 96 CO 0.10 0.17 -0.09 0.45 -1.23 0.00 0.00 177.57 176.98 1gdl h HIS 97 N 0.80 0.28 -0.17 5.19 3.86 -1.44 -1.84 115.15 121.83 1gdl h HIS 97 Ca 0.21 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.27 1gdl h HIS 97 Cb -0.04 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1gdl h HIS 97 CO -0.02 0.36 -0.39 0.28 0.86 0.00 0.00 177.93 179.02 1gdl h VAL 98 N 0.26 1.34 -0.98 2.45 2.07 0.20 -2.48 116.25 119.11 1gdl h VAL 98 Ca 0.06 -1.64 0.12 0.00 0.82 0.00 0.00 66.70 66.05 1gdl h VAL 98 Cb 0.33 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 31.96 1gdl h VAL 98 CO 0.02 0.50 0.61 0.28 0.02 0.00 0.00 177.57 178.99 1gdl h SER 99 N 0.21 0.87 -0.05 0.57 0.02 -0.40 -2.39 113.55 112.39 1gdl h SER 99 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1gdl h SER 99 Cb 1.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1gdl h SER 99 CO 0.09 0.45 0.00 0.29 -1.14 0.00 0.00 176.83 176.52 1gdl n LYS 100 N -4.65 1.42 -0.70 3.45 4.76 -0.72 -4.97 118.16 116.75 1gdl n LYS 100 Ca 0.19 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 55.01 1gdl n LYS 100 Cb 0.37 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1gdl n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gdl n GLY 101 N 1.06 0.58 3.71 0.72 0.00 -0.90 -4.90 105.19 105.47 1gdl n GLY 101 Ca 0.19 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1gdl n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdl s VAL 102 N -2.00 4.75 0.33 1.61 1.01 -0.94 -5.06 120.40 120.10 1gdl s VAL 102 Ca 0.00 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.12 1gdl s VAL 102 Cb 0.00 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1gdl s VAL 102 CO 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 175.10 175.26 1gdl s ALA 103 N 0.76 3.10 0.44 5.51 0.00 -1.26 -4.62 121.76 125.68 1gdl s ALA 103 Ca 0.51 -1.97 0.18 0.00 0.00 0.00 0.00 51.96 50.68 1gdl s ALA 103 Cb -0.22 -0.30 1.12 0.00 0.00 0.00 0.00 23.12 23.72 1gdl s ALA 103 CO 0.29 0.10 1.91 -0.44 0.00 0.00 0.00 175.76 177.62 1gdl h ASP 104 N 1.91 0.34 0.53 0.00 3.32 -1.98 -1.34 116.42 119.20 1gdl h ASP 104 Ca -0.42 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1gdl h ASP 104 Cb 1.25 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1gdl h ASP 104 CO 0.67 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1gdl n ALA 105 N -2.54 1.75 0.18 3.45 0.00 -1.26 -2.62 120.51 119.46 1gdl n ALA 105 Ca 0.15 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1gdl n ALA 105 Cb 0.61 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 18.91 1gdl n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gdl h HIS 106 N 0.00 0.00 -0.72 0.00 3.86 -1.65 -3.38 115.15 113.26 1gdl h HIS 106 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1gdl h HIS 106 Cb 0.26 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 1gdl h HIS 106 CO 0.00 0.04 0.23 0.74 0.86 0.00 0.00 177.93 179.80 1gdl h PHE 107 N 0.00 1.15 -0.34 2.45 -1.00 -1.64 -2.96 116.94 114.60 1gdl h PHE 107 Ca -0.00 -0.11 0.04 0.00 2.81 0.00 0.00 57.97 60.71 1gdl h PHE 107 Cb 1.03 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 1gdl h PHE 107 CO 0.00 0.90 0.23 -1.35 -1.61 0.00 0.00 178.31 176.48 1gdl h PRO 108 N 1.07 0.29 0.54 1.51 0.11 -1.81 -1.28 132.00 132.44 1gdl h PRO 108 Ca 0.23 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 1gdl h PRO 108 Cb 0.29 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.34 1gdl h PRO 108 CO -0.01 0.19 -0.26 0.28 -0.21 0.00 0.00 178.00 177.99 1gdl h VAL 109 N 0.30 0.41 -0.20 3.15 2.07 -1.79 -1.95 116.25 118.25 1gdl h VAL 109 Ca 0.14 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1gdl h VAL 109 Cb 0.19 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1gdl h VAL 109 CO -0.03 0.04 -0.29 0.58 0.02 0.00 0.00 177.57 177.89 1gdl h VAL 110 N -0.89 1.27 -0.28 2.57 2.07 -1.56 -2.10 116.25 117.33 1gdl h VAL 110 Ca -0.07 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1gdl h VAL 110 Cb 0.62 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1gdl h VAL 110 CO 0.12 0.40 0.18 0.50 0.02 0.00 0.00 177.57 178.80 1gdl h LYS 111 N 0.34 0.37 0.00 1.57 3.64 -1.21 -2.50 116.57 118.77 1gdl h LYS 111 Ca 0.05 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1gdl h LYS 111 Cb 0.68 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1gdl h LYS 111 CO 0.05 0.24 -0.39 0.93 -2.27 0.00 0.00 179.45 178.02 1gdl h GLU 112 N 0.38 0.00 -0.06 1.90 4.39 -1.25 -2.73 114.58 117.21 1gdl h GLU 112 Ca 0.10 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.66 1gdl h GLU 112 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1gdl h GLU 112 CO -0.02 0.39 -0.58 0.00 -1.16 0.00 0.00 179.01 177.63 1gdl h ALA 113 N 1.61 0.90 -0.37 3.43 0.00 -1.23 -2.21 119.26 121.40 1gdl h ALA 113 Ca -0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1gdl h ALA 113 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gdl h ALA 113 CO 0.05 0.72 -0.38 0.82 0.00 0.00 0.00 179.25 180.46 1gdl h ILE 114 N 0.15 1.28 -0.17 0.00 2.04 -1.41 -1.67 117.51 117.73 1gdl h ILE 114 Ca -0.00 -1.55 -0.06 0.00 1.00 0.00 0.00 64.86 64.25 1gdl h ILE 114 Cb 1.07 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1gdl h ILE 114 CO 0.09 0.52 -0.12 -0.07 0.00 0.00 0.00 178.15 178.57 1gdl h LEU 115 N 0.72 0.40 -1.16 1.44 3.38 -1.34 -2.70 115.31 116.06 1gdl h LEU 115 Ca 0.06 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1gdl h LEU 115 Cb 0.96 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1gdl h LEU 115 CO 0.09 0.75 -0.24 0.11 0.09 0.00 0.00 178.44 179.24 1gdl h LYS 116 N 0.04 0.29 0.10 1.13 1.57 -1.41 -1.21 116.57 117.09 1gdl h LYS 116 Ca 0.03 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1gdl h LYS 116 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1gdl h LYS 116 CO 0.03 0.52 -0.05 1.15 -0.57 0.00 0.00 179.45 180.53 1gdl h THR 117 N 0.26 1.03 -0.49 -0.16 2.02 -1.25 -2.29 112.91 112.03 1gdl h THR 117 Ca 0.04 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1gdl h THR 117 Cb 0.57 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1gdl h THR 117 CO 0.04 0.12 0.08 0.40 0.37 0.00 0.00 175.52 176.53 1gdl h ILE 118 N -0.36 1.22 -0.61 3.11 1.08 -1.35 0.51 117.51 121.11 1gdl h ILE 118 Ca -0.01 -0.85 -0.08 0.00 -0.39 0.00 0.00 64.86 63.53 1gdl h ILE 118 Cb 0.30 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1gdl h ILE 118 CO 0.02 0.31 0.08 0.50 -0.69 0.00 0.00 178.15 178.37 1gdl h LYS 119 N 0.73 1.01 0.00 2.37 1.63 -1.04 -1.07 116.57 120.20 1gdl h LYS 119 Ca 0.16 -0.27 -0.18 0.00 -0.85 0.00 0.00 60.65 59.51 1gdl h LYS 119 Cb 0.34 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1gdl h LYS 119 CO 0.01 0.94 -0.83 0.93 -3.45 0.00 0.00 179.45 177.05 1gdl h GLU 120 N 0.95 0.03 0.22 1.90 5.08 -0.97 -2.63 114.58 119.16 1gdl h GLU 120 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1gdl h GLU 120 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1gdl h GLU 120 CO 0.01 0.84 -0.11 0.28 -1.00 0.00 0.00 179.01 179.04 1gdl h VAL 121 N 0.02 0.84 0.00 3.13 2.07 0.08 -3.24 116.25 119.14 1gdl h VAL 121 Ca -0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1gdl h VAL 121 Cb 1.46 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1gdl h VAL 121 CO 0.11 0.07 -0.15 -0.37 0.02 0.00 0.00 177.57 177.25 1gdl h VAL 122 N -0.46 0.00 0.00 2.57 -1.51 -1.33 -3.48 116.25 112.03 1gdl h VAL 122 Ca -0.03 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1gdl h VAL 122 Cb 0.35 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1gdl h VAL 122 CO 0.05 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 1gdl n GLY 123 N 1.21 3.34 0.05 5.19 0.00 -0.99 -1.73 105.19 112.25 1gdl n GLY 123 Ca 0.04 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.40 1gdl n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gdl n ALA 124 N 11.70 1.54 1.41 4.61 0.00 -1.26 -2.57 120.51 135.94 1gdl n ALA 124 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1gdl n ALA 124 Cb 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 19.45 18.34 1gdl n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gdl n LYS 125 N -1.77 1.44 -2.55 0.00 5.02 -0.71 -4.91 118.16 114.69 1gdl n LYS 125 Ca 0.02 -0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 55.28 1gdl n LYS 125 Cb 0.16 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 1gdl n LYS 125 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1gdl s TRP 126 N -1.76 3.13 0.10 2.13 -0.00 -1.06 -5.03 118.94 116.44 1gdl s TRP 126 Ca 0.16 1.61 -0.06 0.00 -0.00 0.00 0.00 56.10 57.81 1gdl s TRP 126 Cb 0.08 -3.09 -0.02 0.00 -0.00 0.00 0.00 33.47 30.45 1gdl s TRP 126 CO 0.11 -0.72 0.13 -1.54 -0.00 0.00 0.00 176.95 174.93 1gdl s SER 127 N -1.80 0.23 0.44 5.86 1.04 -1.26 -5.03 113.70 113.18 1gdl s SER 127 Ca 0.63 -0.85 0.30 0.00 0.48 0.00 0.00 55.95 56.50 1gdl s SER 127 Cb -0.19 0.31 1.19 0.00 0.10 0.00 0.00 66.02 67.43 1gdl s SER 127 CO 0.23 -0.72 1.87 -0.33 0.98 0.00 0.00 173.24 175.27 1gdl h GLU 128 N 2.84 0.00 0.02 4.02 4.39 -1.99 -2.24 114.58 121.61 1gdl h GLU 128 Ca -0.34 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.14 1gdl h GLU 128 Cb 1.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1gdl h GLU 128 CO 0.58 0.00 -1.03 1.49 -1.16 0.00 0.00 179.01 178.89 1gdl h GLU 129 N 0.00 0.04 -0.17 2.33 4.57 -1.99 -2.36 114.58 117.00 1gdl h GLU 129 Ca 0.00 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 1gdl h GLU 129 Cb 0.49 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1gdl h GLU 129 CO 0.00 1.03 -0.34 1.25 -1.18 0.00 0.00 179.01 179.76 1gdl h LEU 130 N 0.01 0.60 -0.36 1.64 5.85 -1.81 -2.61 115.31 118.63 1gdl h LEU 130 Ca -0.03 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.20 1gdl h LEU 130 Cb 1.79 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1gdl h LEU 130 CO 0.14 1.04 0.04 -1.13 -0.34 0.00 0.00 178.44 178.19 1gdl h ASN 131 N 0.18 -0.07 0.70 1.25 -0.73 -1.53 -1.37 115.58 114.02 1gdl h ASN 131 Ca 0.01 0.07 -0.11 0.00 1.87 0.00 0.00 56.30 58.13 1gdl h ASN 131 Cb 0.94 0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 1gdl h ASN 131 CO 0.08 0.00 -0.54 0.77 -0.37 0.00 0.00 177.43 177.37 1gdl h SER 132 N 0.15 0.00 -0.01 1.15 4.64 -1.43 -2.14 113.55 115.91 1gdl h SER 132 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1gdl h SER 132 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1gdl h SER 132 CO -0.26 0.54 -0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1gdl h ALA 133 N 1.46 0.01 -0.70 5.18 0.00 -1.05 -0.75 119.26 123.41 1gdl h ALA 133 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1gdl h ALA 133 Cb 1.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gdl h ALA 133 CO 0.07 -0.31 0.25 -1.49 0.00 0.00 0.00 179.25 177.77 1gdl h TRP 134 N -0.35 1.09 -0.08 0.00 4.06 -1.21 -1.98 115.95 117.48 1gdl h TRP 134 Ca 0.00 -0.10 0.04 0.00 2.06 0.00 0.00 58.89 60.90 1gdl h TRP 134 Cb 0.36 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 1gdl h TRP 134 CO 0.05 0.86 -0.25 1.15 -3.56 0.00 0.00 178.44 176.68 1gdl h THR 135 N 1.00 0.41 0.20 1.49 2.02 -1.33 -2.01 112.91 114.69 1gdl h THR 135 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1gdl h THR 135 Cb 0.25 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1gdl h THR 135 CO -0.01 0.00 -0.17 0.40 0.37 0.00 0.00 175.52 176.11 1gdl h ILE 136 N -0.34 0.63 -0.60 3.11 2.04 -1.04 -1.44 117.51 119.88 1gdl h ILE 136 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1gdl h ILE 136 Cb 0.47 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1gdl h ILE 136 CO -0.28 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.20 1gdl h ALA 137 N 0.38 0.78 0.61 1.87 0.00 -1.25 -1.56 119.26 120.09 1gdl h ALA 137 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gdl h ALA 137 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gdl h ALA 137 CO -0.02 0.01 -0.39 -0.92 0.00 0.00 0.00 179.25 177.93 1gdl h TYR 138 N 0.63 -1.03 -0.68 0.00 3.20 -1.32 -1.40 116.97 116.37 1gdl h TYR 138 Ca 0.26 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.24 1gdl h TYR 138 Cb 0.13 0.37 -0.09 0.00 1.54 0.00 0.00 36.73 38.68 1gdl h TYR 138 CO -0.08 -0.58 0.24 -0.44 -1.64 0.00 0.00 178.16 175.65 1gdl h ASP 139 N -0.95 0.20 0.01 -2.11 3.32 -1.03 0.15 116.42 116.00 1gdl h ASP 139 Ca -0.07 0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 1gdl h ASP 139 Cb 0.77 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1gdl h ASP 139 CO 0.07 0.09 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.95 1gdl h GLU 140 N 0.39 0.50 -0.18 3.56 4.39 -1.23 -2.63 114.58 119.38 1gdl h GLU 140 Ca 0.37 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 59.66 1gdl h GLU 140 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1gdl h GLU 140 CO -0.38 0.82 -0.50 1.25 -1.16 0.00 0.00 179.01 179.04 1gdl h LEU 141 N 0.42 0.75 -1.44 1.33 5.85 -0.77 -3.15 115.31 118.30 1gdl h LEU 141 Ca 0.04 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1gdl h LEU 141 Cb 0.88 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1gdl h LEU 141 CO 0.07 1.20 0.03 0.00 -0.34 0.00 0.00 178.44 179.40 1gdl h ALA 142 N 0.57 1.55 -0.86 1.25 0.00 -0.64 -1.70 119.26 119.43 1gdl h ALA 142 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gdl h ALA 142 Cb 1.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1gdl h ALA 142 CO 0.11 0.33 0.45 0.82 0.00 0.00 0.00 179.25 180.96 1gdl h ILE 143 N 0.39 1.25 -0.02 0.00 2.04 -1.43 0.52 117.51 120.27 1gdl h ILE 143 Ca 0.09 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 1gdl h ILE 143 Cb 0.22 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1gdl h ILE 143 CO 0.00 0.29 -0.01 0.58 0.00 0.00 0.00 178.15 179.02 1gdl h VAL 144 N 1.21 1.33 0.21 1.67 2.07 -1.45 -2.61 116.25 118.68 1gdl h VAL 144 Ca 0.30 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1gdl h VAL 144 Cb 0.06 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1gdl h VAL 144 CO -0.04 0.27 -0.19 0.40 0.02 0.00 0.00 177.57 178.02 1gdl h ILE 145 N -0.37 0.58 -0.60 4.57 2.04 -1.01 -2.10 117.51 120.62 1gdl h ILE 145 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.01 1gdl h ILE 145 Cb 0.44 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1gdl h ILE 145 CO 0.00 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.68 1gdl h LYS 146 N -0.43 0.18 0.00 2.37 1.57 0.02 0.15 116.57 120.42 1gdl h LYS 146 Ca -0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1gdl h LYS 146 Cb 0.39 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1gdl h LYS 146 CO -0.04 0.12 -0.41 1.57 -0.57 0.00 0.00 179.45 180.12 1gdl h LYS 147 N 0.18 0.00 0.00 3.15 2.10 -1.04 -2.42 116.57 118.55 1gdl h LYS 147 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1gdl h LYS 147 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 1gdl h LYS 147 CO -0.05 0.20 -0.17 0.93 -2.00 0.00 0.00 179.45 178.37 1gdl h GLU 148 N 0.00 0.00 0.01 0.07 4.39 -0.10 -2.50 114.58 116.46 1gdl h GLU 148 Ca -0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1gdl h GLU 148 Cb 1.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1gdl h GLU 148 CO 0.03 0.00 -0.43 0.52 -1.16 0.00 0.00 179.01 177.97 1gdl h MET 149 N 0.00 0.27 0.00 2.33 2.86 -1.19 -2.94 114.93 116.25 1gdl h MET 149 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1gdl h MET 149 Cb 0.91 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1gdl h MET 149 CO 0.00 1.03 0.00 -0.44 1.06 0.00 0.00 176.91 178.56 1gdl h ASP 150 N -0.36 0.00 0.12 1.22 5.19 -1.38 -0.67 116.42 120.53 1gdl h ASP 150 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1gdl h ASP 150 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1gdl h ASP 150 CO 0.08 0.00 -1.52 0.47 -3.12 0.00 0.00 179.24 175.16 1gdl n ASP 151 N -2.36 0.42 -0.04 6.45 8.00 -0.95 -4.27 116.55 123.81 1gdl n ASP 151 Ca 0.02 -0.30 -0.10 0.00 0.71 0.00 0.00 54.79 55.12 1gdl n ASP 151 Cb 0.23 1.45 -0.14 0.00 -0.02 0.00 0.00 41.12 42.64 1gdl n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gdl n ALA 152 N -1.97 1.46 1.23 2.24 0.00 -0.39 -5.09 120.51 117.99 1gdl n ALA 152 Ca -0.01 -0.88 0.13 0.00 0.00 0.00 0.00 53.44 52.68 1gdl n ALA 152 Cb 0.48 -0.69 0.30 0.00 0.00 0.00 0.00 19.45 19.54 1gdl n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50