#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b79 s PRO 27 N 0.00 2.58 0.00 0.52 0.04 -1.26 -5.02 135.00 131.86 1b79 s PRO 27 Ca 0.00 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1b79 s PRO 27 Cb 0.00 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1b79 s PRO 27 CO 0.00 -1.39 0.38 1.58 0.04 0.00 0.00 177.00 177.61 1b79 n HIS 28 N -3.24 0.00 -1.34 0.56 -0.00 -1.26 -4.94 115.22 105.00 1b79 n HIS 28 Ca 0.09 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.44 1b79 n HIS 28 Cb 0.53 -0.26 -0.05 0.00 -0.12 0.00 0.00 29.99 30.09 1b79 n HIS 28 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1b79 n SER 29 N -1.29 -7.87 0.02 0.26 3.41 -1.26 -3.88 113.62 103.00 1b79 n SER 29 Ca 0.00 0.63 -0.15 0.00 -0.26 0.00 0.00 58.87 59.10 1b79 n SER 29 Cb 0.00 -4.15 -0.14 0.00 -0.26 0.00 0.00 64.21 59.66 1b79 n SER 29 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1b79 h ILE 30 N -1.26 0.93 -0.84 -1.33 1.08 -2.00 -3.35 117.51 110.73 1b79 h ILE 30 Ca -0.00 -2.67 0.18 0.00 -0.39 0.00 0.00 64.86 61.98 1b79 h ILE 30 Cb 1.32 2.58 -0.06 0.00 -3.07 0.00 0.00 36.82 37.58 1b79 h ILE 30 CO 0.02 0.73 0.56 -0.33 -0.69 0.00 0.00 178.15 178.43 1b79 h GLU 31 N 0.04 0.39 -0.42 2.37 3.07 -1.99 0.33 114.58 118.38 1b79 h GLU 31 Ca -0.30 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.47 1b79 h GLU 31 Cb 2.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.82 1b79 h GLU 31 CO 0.11 0.26 -0.01 0.00 -1.40 0.00 0.00 179.01 177.97 1b79 h ALA 32 N 1.62 0.57 -0.37 3.43 0.00 -1.70 -0.39 119.26 122.43 1b79 h ALA 32 Ca 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1b79 h ALA 32 Cb 1.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1b79 h ALA 32 CO -0.15 0.37 0.10 0.93 0.00 0.00 0.00 179.25 180.50 1b79 h GLU 33 N 0.58 0.59 -0.66 0.00 5.08 -0.65 -1.54 114.58 117.99 1b79 h GLU 33 Ca 0.12 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1b79 h GLU 33 Cb 0.51 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1b79 h GLU 33 CO 0.02 0.62 0.37 1.96 -1.00 0.00 0.00 179.01 180.99 1b79 h GLN 34 N 0.46 0.67 -0.52 2.33 4.20 -0.50 -0.98 115.11 120.76 1b79 h GLN 34 Ca 0.12 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1b79 h GLN 34 Cb 0.29 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1b79 h GLN 34 CO -0.00 0.44 0.09 0.77 -0.67 0.00 0.00 178.83 179.46 1b79 h SER 35 N 0.69 0.77 0.12 1.46 0.02 -0.74 0.25 113.55 116.11 1b79 h SER 35 Ca 0.29 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1b79 h SER 35 Cb 0.17 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1b79 h SER 35 CO -0.18 0.78 -0.06 0.58 -1.14 0.00 0.00 176.83 176.82 1b79 h VAL 36 N 0.78 1.02 0.41 2.27 2.07 -0.35 -0.07 116.25 122.38 1b79 h VAL 36 Ca 0.17 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1b79 h VAL 36 Cb 0.35 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1b79 h VAL 36 CO 0.01 0.14 -0.20 -0.07 0.02 0.00 0.00 177.57 177.47 1b79 h LEU 37 N -0.43 -0.46 -0.46 2.57 3.38 -1.02 -0.55 115.31 118.34 1b79 h LEU 37 Ca -0.02 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1b79 h LEU 37 Cb 0.35 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1b79 h LEU 37 CO 0.03 -0.16 0.24 1.23 0.09 0.00 0.00 178.44 179.86 1b79 h GLY 38 N -0.78 0.64 0.76 0.83 0.00 -0.61 -0.43 103.07 103.48 1b79 h GLY 38 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.16 1b79 h GLY 38 CO 0.09 0.12 0.52 -1.33 0.00 0.00 0.00 176.54 175.94 1b79 h GLY 39 N 0.48 1.24 1.58 4.60 0.00 -0.97 0.21 103.07 110.21 1b79 h GLY 39 Ca 0.20 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1b79 h GLY 39 CO -0.13 0.28 -0.08 1.41 0.00 0.00 0.00 176.54 178.02 1b79 h LEU 40 N 0.96 0.49 -0.61 3.11 3.38 -0.24 -0.52 115.31 121.88 1b79 h LEU 40 Ca 0.36 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1b79 h LEU 40 Cb 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1b79 h LEU 40 CO -0.16 0.62 0.20 0.24 0.09 0.00 0.00 178.44 179.43 1b79 h MET 41 N 0.48 0.94 0.00 1.13 2.86 0.63 -2.61 114.93 118.36 1b79 h MET 41 Ca 0.10 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1b79 h MET 41 Cb 0.43 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1b79 h MET 41 CO 0.02 0.83 -0.14 -0.07 1.06 0.00 0.00 176.91 178.60 1b79 h LEU 42 N 0.86 0.00 -6.26 1.22 3.38 -0.77 -3.38 115.31 110.36 1b79 h LEU 42 Ca 0.20 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.66 1b79 h LEU 42 Cb 0.27 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.67 1b79 h LEU 42 CO -0.01 0.14 -0.86 -0.62 0.09 0.00 0.00 178.44 177.18 1b79 s ASP 43 N -6.14 1.39 0.51 -0.43 -1.08 -0.24 -4.98 116.67 105.70 1b79 s ASP 43 Ca 0.04 -2.55 0.29 0.00 -0.52 0.00 0.00 52.55 49.81 1b79 s ASP 43 Cb 0.08 -0.04 1.57 0.00 -1.46 0.00 0.00 42.92 43.06 1b79 s ASP 43 CO 0.65 -0.20 1.86 0.78 0.52 0.00 0.00 175.17 178.78 1b79 h ASN 44 N 6.05 0.00 0.36 -0.34 -0.26 -1.72 -2.14 115.58 117.53 1b79 h ASN 44 Ca 0.17 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.74 1b79 h ASN 44 Cb 0.96 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 1b79 h ASN 44 CO 0.29 0.00 -0.71 -0.33 -1.06 0.00 0.00 177.43 175.61 1b79 h GLU 45 N 0.00 0.30 0.00 0.81 4.39 -1.94 -3.14 114.58 115.00 1b79 h GLU 45 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1b79 h GLU 45 Cb 0.28 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1b79 h GLU 45 CO 0.00 0.89 0.00 0.54 -1.16 0.00 0.00 179.01 179.28 1b79 n ARG 46 N -3.81 0.50 0.38 2.33 1.74 -0.80 -3.98 116.66 113.02 1b79 n ARG 46 Ca -0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.86 1b79 n ARG 46 Cb 0.69 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.94 1b79 n ARG 46 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1b79 h TRP 47 N 0.00 -1.29 -0.89 -1.55 2.91 -1.74 -2.39 115.95 111.00 1b79 h TRP 47 Ca 0.00 -0.01 0.21 0.00 1.13 0.00 0.00 58.89 60.22 1b79 h TRP 47 Cb 0.00 0.47 -0.12 0.00 -0.51 0.00 0.00 29.16 29.01 1b79 h TRP 47 CO 0.00 -0.70 0.42 -0.44 -1.03 0.00 0.00 178.44 176.69 1b79 h ASP 48 N -1.12 0.39 -0.32 2.65 3.32 -1.87 0.24 116.42 119.72 1b79 h ASP 48 Ca -0.09 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1b79 h ASP 48 Cb 0.92 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1b79 h ASP 48 CO 0.05 0.05 0.15 0.44 -1.72 0.00 0.00 179.24 178.21 1b79 h ASP 49 N 0.46 0.43 -0.46 6.45 5.19 -1.81 -1.11 116.42 125.56 1b79 h ASP 49 Ca 0.55 -0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.75 1b79 h ASP 49 Cb 0.99 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1b79 h ASP 49 CO -0.49 0.45 0.01 0.58 -3.12 0.00 0.00 179.24 176.66 1b79 h VAL 50 N 0.38 1.26 -0.62 -1.35 2.07 -0.66 -2.97 116.25 114.36 1b79 h VAL 50 Ca 0.11 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1b79 h VAL 50 Cb 0.14 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1b79 h VAL 50 CO -0.01 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.17 1b79 h ALA 51 N 0.92 1.25 0.00 1.67 0.00 -0.47 0.05 119.26 122.68 1b79 h ALA 51 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b79 h ALA 51 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1b79 h ALA 51 CO 0.02 0.55 0.00 0.39 0.00 0.00 0.00 179.25 180.21 1b79 n GLU 52 N -4.31 0.22 -0.02 0.00 1.02 -0.43 -3.64 120.64 113.48 1b79 n GLU 52 Ca 0.05 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 1b79 n GLU 52 Cb 0.18 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 1b79 n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1b79 n ARG 53 N -1.33 2.90 -4.22 3.49 1.74 -0.66 -5.09 116.66 113.50 1b79 n ARG 53 Ca 0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1b79 n ARG 53 Cb 0.17 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1b79 n ARG 53 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1b79 s VAL 54 N -2.12 0.75 0.11 1.55 0.11 -0.09 -4.69 120.40 116.03 1b79 s VAL 54 Ca -0.03 -1.98 0.04 0.00 -2.93 0.00 0.00 61.98 57.08 1b79 s VAL 54 Cb 0.01 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1b79 s VAL 54 CO 0.19 -0.65 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.52 1b79 s VAL 55 N -3.60 1.01 0.21 2.04 1.01 -1.26 -4.55 120.40 115.26 1b79 s VAL 55 Ca 0.19 -1.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 1b79 s VAL 55 Cb 0.05 -1.54 0.21 0.00 0.00 0.00 0.00 36.38 35.11 1b79 s VAL 55 CO 0.00 -0.63 1.58 0.00 0.00 0.00 0.00 175.10 176.05 1b79 h ALA 56 N 3.29 0.15 0.00 5.51 0.00 -1.92 0.44 119.26 126.73 1b79 h ALA 56 Ca -0.37 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b79 h ALA 56 Cb 1.19 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1b79 h ALA 56 CO 0.57 -0.59 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 1b79 n ASP 57 N -5.47 0.00 0.08 0.00 8.00 -1.26 -2.07 116.55 115.83 1b79 n ASP 57 Ca 0.08 -0.12 0.13 0.00 0.71 0.00 0.00 54.79 55.58 1b79 n ASP 57 Cb 0.38 -0.14 0.39 0.00 -0.02 0.00 0.00 41.12 41.73 1b79 n ASP 57 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1b79 n ASP 58 N -1.14 0.67 -4.80 -2.24 8.00 0.15 -4.85 116.55 112.34 1b79 n ASP 58 Ca 0.07 0.46 -0.36 0.00 0.71 0.00 0.00 54.79 55.67 1b79 n ASP 58 Cb 0.06 -0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 40.54 1b79 n ASP 58 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b79 s PHE 59 N -3.09 3.61 0.00 1.24 0.40 -0.88 -4.82 117.98 114.44 1b79 s PHE 59 Ca 0.10 1.59 -0.03 0.00 -0.60 0.00 0.00 56.93 58.00 1b79 s PHE 59 Cb 0.14 -2.79 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 1b79 s PHE 59 CO 0.61 0.21 0.77 1.88 0.70 0.00 0.00 175.22 179.40 1b79 h TYR 60 N 3.05 -0.09 -4.18 0.36 0.05 -1.89 -3.46 116.97 110.81 1b79 h TYR 60 Ca -0.47 -0.00 -0.50 0.00 0.05 0.00 0.00 58.73 57.80 1b79 h TYR 60 Cb 1.19 0.03 0.08 0.00 1.01 0.00 0.00 36.73 39.04 1b79 h TYR 60 CO 0.62 -0.05 0.38 0.95 -1.05 0.00 0.00 178.16 179.01 1b79 s THR 61 N -2.69 3.51 0.03 -2.88 -4.23 -1.26 -4.98 115.64 103.14 1b79 s THR 61 Ca -0.01 0.74 -0.24 0.00 -1.18 0.00 0.00 61.69 61.00 1b79 s THR 61 Cb 0.00 -3.26 -0.17 0.00 1.34 0.00 0.00 72.50 70.41 1b79 s THR 61 CO 0.04 -0.39 1.48 -0.09 -0.54 0.00 0.00 174.62 175.12 1b79 h ARG 62 N 0.41 0.02 -0.65 3.99 9.65 -1.97 -2.64 114.38 123.19 1b79 h ARG 62 Ca -0.47 -0.01 0.14 0.00 -1.10 0.00 0.00 59.98 58.54 1b79 h ARG 62 Cb 1.24 -0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.70 1b79 h ARG 62 CO 0.56 0.29 -0.01 -1.35 2.80 0.00 0.00 179.97 182.25 1b79 h PRO 63 N -0.24 0.10 -0.78 0.20 0.11 -1.86 -0.37 132.00 129.16 1b79 h PRO 63 Ca 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1b79 h PRO 63 Cb 0.27 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1b79 h PRO 63 CO 0.00 0.07 0.33 0.45 -0.21 0.00 0.00 178.00 178.63 1b79 h HIS 64 N 0.10 1.16 -0.61 0.65 3.86 -1.87 0.19 115.15 118.63 1b79 h HIS 64 Ca 0.34 -0.08 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 1b79 h HIS 64 Cb 0.56 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1b79 h HIS 64 CO -0.39 0.87 0.09 0.00 0.86 0.00 0.00 177.93 179.36 1b79 h ARG 65 N 1.12 1.02 -0.04 2.45 3.08 -0.83 -0.91 114.38 120.27 1b79 h ARG 65 Ca 0.26 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1b79 h ARG 65 Cb 0.19 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1b79 h ARG 65 CO -0.02 0.96 0.02 1.25 -1.07 0.00 0.00 179.97 181.10 1b79 h HIS 66 N 0.92 0.06 -0.45 3.04 2.76 -0.45 -0.66 115.15 120.38 1b79 h HIS 66 Ca 0.18 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1b79 h HIS 66 Cb 0.44 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1b79 h HIS 66 CO 0.03 0.19 0.25 0.82 -1.30 0.00 0.00 177.93 177.92 1b79 h ILE 67 N -0.08 1.02 -0.42 6.26 2.04 -0.52 -1.46 117.51 124.34 1b79 h ILE 67 Ca 0.01 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1b79 h ILE 67 Cb 0.15 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1b79 h ILE 67 CO -0.00 0.09 0.25 0.15 0.00 0.00 0.00 178.15 178.64 1b79 h PHE 68 N 0.50 0.55 -0.81 1.37 3.57 -0.93 0.69 116.94 121.87 1b79 h PHE 68 Ca 0.18 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1b79 h PHE 68 Cb 0.05 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 1b79 h PHE 68 CO -0.08 0.38 0.53 1.15 -2.23 0.00 0.00 178.31 178.07 1b79 h THR 69 N 0.55 1.20 -0.20 4.41 2.02 -0.97 0.02 112.91 119.93 1b79 h THR 69 Ca 0.15 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1b79 h THR 69 Cb -0.01 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 1b79 h THR 69 CO -0.03 0.20 0.12 -0.08 0.37 0.00 0.00 175.52 176.10 1b79 h GLU 70 N 1.09 0.28 -0.41 6.66 4.57 -0.59 -0.04 114.58 126.13 1b79 h GLU 70 Ca 0.30 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1b79 h GLU 70 Cb -0.11 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1b79 h GLU 70 CO -0.07 0.23 0.12 0.52 -1.18 0.00 0.00 179.01 178.63 1b79 h MET 71 N 0.24 0.60 0.13 1.92 2.86 -0.55 0.05 114.93 120.19 1b79 h MET 71 Ca 0.07 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1b79 h MET 71 Cb 0.03 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1b79 h MET 71 CO -0.01 0.54 -0.06 0.00 1.06 0.00 0.00 176.91 178.43 1b79 h ALA 72 N 1.55 -0.18 0.20 6.32 0.00 -0.17 0.21 119.26 127.18 1b79 h ALA 72 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1b79 h ALA 72 Cb 0.19 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1b79 h ALA 72 CO -0.01 -0.54 -0.27 -0.09 0.00 0.00 0.00 179.25 178.35 1b79 h ARG 73 N -0.30 -0.50 0.09 0.00 2.43 -0.55 0.50 114.38 116.05 1b79 h ARG 73 Ca -0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1b79 h ARG 73 Cb 0.24 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1b79 h ARG 73 CO 0.03 -0.34 -0.33 -0.07 -1.51 0.00 0.00 179.97 177.76 1b79 h LEU 74 N -0.52 -0.95 -1.15 3.80 3.38 -0.92 -1.93 115.31 117.02 1b79 h LEU 74 Ca 0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1b79 h LEU 74 Cb 0.51 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1b79 h LEU 74 CO -0.10 -0.41 0.37 -0.61 0.09 0.00 0.00 178.44 177.78 1b79 h GLN 75 N -0.54 0.96 0.00 1.13 5.75 -0.87 -1.19 115.11 120.35 1b79 h GLN 75 Ca 0.04 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1b79 h GLN 75 Cb 0.58 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1b79 h GLN 75 CO -0.21 0.71 0.00 0.39 -2.65 0.00 0.00 178.83 177.07 1b79 n GLU 76 N -4.36 0.37 -0.14 1.69 -0.58 0.16 -2.45 120.64 115.32 1b79 n GLU 76 Ca 0.07 0.06 0.04 0.00 -0.42 0.00 0.00 57.16 56.91 1b79 n GLU 76 Cb 0.10 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.59 1b79 n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1b79 n SER 77 N -1.25 2.72 0.00 1.62 3.41 -0.62 -4.99 113.62 114.51 1b79 n SER 77 Ca 0.12 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1b79 n SER 77 Cb 0.17 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1b79 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b79 n GLY 78 N 0.08 0.84 3.87 5.00 0.00 -1.03 -5.05 105.19 108.90 1b79 n GLY 78 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1b79 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b79 s SER 79 N -2.88 6.67 0.77 1.61 0.01 -0.55 -4.99 113.70 114.34 1b79 s SER 79 Ca 0.00 0.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 1b79 s SER 79 Cb 0.00 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.08 1b79 s SER 79 CO 0.00 0.06 1.11 -2.84 0.41 0.00 0.00 173.24 171.98 1b79 s PRO 80 N -2.31 2.15 -0.19 12.44 0.02 -1.26 -3.52 135.00 142.33 1b79 s PRO 80 Ca 0.40 1.31 0.14 0.00 0.02 0.00 0.00 61.00 62.87 1b79 s PRO 80 Cb -0.13 -1.88 0.40 0.00 0.02 0.00 0.00 34.50 32.92 1b79 s PRO 80 CO 0.20 -1.74 1.26 0.44 -0.33 0.00 0.00 177.00 176.83 1b79 n ILE 81 N -3.37 2.17 -1.29 2.83 -5.35 -1.26 -4.56 119.36 108.53 1b79 n ILE 81 Ca 0.10 -2.63 -0.30 0.00 -0.27 0.00 0.00 62.75 59.66 1b79 n ILE 81 Cb 0.52 -0.26 0.13 0.00 -1.74 0.00 0.00 39.64 38.30 1b79 n ILE 81 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1b79 s ASP 82 N -2.82 3.67 0.21 7.28 -4.77 -1.26 -4.37 116.67 114.61 1b79 s ASP 82 Ca 0.38 1.43 -0.15 0.00 -3.30 0.00 0.00 52.55 50.90 1b79 s ASP 82 Cb 0.34 -2.12 0.22 0.00 -1.09 0.00 0.00 42.92 40.28 1b79 s ASP 82 CO -0.00 -2.51 1.61 0.25 0.70 0.00 0.00 175.17 175.23 1b79 h LEU 83 N -1.46 -0.73 -0.12 2.11 5.85 -1.96 -0.77 115.31 118.23 1b79 h LEU 83 Ca -0.49 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1b79 h LEU 83 Cb 1.28 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1b79 h LEU 83 CO 0.56 -0.24 0.05 0.40 -0.34 0.00 0.00 178.44 178.87 1b79 h ILE 84 N -0.04 1.16 -0.34 4.05 2.04 -1.97 -0.16 117.51 122.26 1b79 h ILE 84 Ca 0.29 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1b79 h ILE 84 Cb 0.50 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1b79 h ILE 84 CO -0.67 0.14 0.17 0.74 0.00 0.00 0.00 178.15 178.53 1b79 h THR 85 N 0.03 1.15 0.80 -0.27 2.02 -1.78 -1.51 112.91 113.35 1b79 h THR 85 Ca 0.04 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1b79 h THR 85 Cb 0.18 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1b79 h THR 85 CO -0.00 0.16 -0.38 0.25 0.37 0.00 0.00 175.52 175.91 1b79 h LEU 86 N 0.41 -0.91 -1.57 2.58 5.85 -1.09 -1.74 115.31 118.85 1b79 h LEU 86 Ca 0.12 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.98 1b79 h LEU 86 Cb 0.10 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1b79 h LEU 86 CO -0.02 -0.65 0.45 0.00 -0.34 0.00 0.00 178.44 177.89 1b79 h ALA 87 N -0.85 2.00 -0.24 1.25 0.00 -0.99 -1.31 119.26 119.11 1b79 h ALA 87 Ca -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1b79 h ALA 87 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1b79 h ALA 87 CO 0.18 -0.16 -0.08 1.49 0.00 0.00 0.00 179.25 180.68 1b79 h GLU 88 N 0.47 0.48 -0.22 0.00 4.81 -1.11 -2.28 114.58 116.74 1b79 h GLU 88 Ca 0.32 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1b79 h GLU 88 Cb 0.61 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1b79 h GLU 88 CO -0.10 0.73 -0.47 0.66 -0.73 0.00 0.00 179.01 179.10 1b79 h SER 89 N 0.21 0.61 0.24 1.04 4.64 -0.45 -2.16 113.55 117.67 1b79 h SER 89 Ca 0.06 -0.29 -0.11 0.00 -0.47 0.00 0.00 61.79 60.97 1b79 h SER 89 Cb 0.56 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1b79 h SER 89 CO 0.03 0.98 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.46 1b79 h LEU 90 N 0.45 0.27 -0.11 5.97 3.38 -1.30 -2.89 115.31 121.08 1b79 h LEU 90 Ca 0.03 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1b79 h LEU 90 Cb 0.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1b79 h LEU 90 CO 0.09 0.67 -0.37 -0.08 0.09 0.00 0.00 178.44 178.84 1b79 h GLU 91 N 0.21 0.44 0.00 1.13 4.81 -1.29 -1.05 114.58 118.83 1b79 h GLU 91 Ca 0.02 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1b79 h GLU 91 Cb 0.86 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1b79 h GLU 91 CO 0.07 0.96 0.00 0.54 -0.73 0.00 0.00 179.01 179.84 1b79 n ARG 92 N -4.35 0.00 -0.12 1.92 1.74 -0.82 -1.43 116.66 113.59 1b79 n ARG 92 Ca -0.08 0.40 0.04 0.00 -0.77 0.00 0.00 57.85 57.44 1b79 n ARG 92 Cb 0.52 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.57 1b79 n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1b79 n GLN 93 N -1.51 2.88 -0.43 5.56 6.02 -1.09 -4.98 117.38 123.83 1b79 n GLN 93 Ca 0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.13 1b79 n GLN 93 Cb 0.07 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1b79 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b79 n GLY 94 N 0.22 0.66 0.15 1.08 0.00 -0.51 -4.81 105.19 101.97 1b79 n GLY 94 Ca 0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.25 1b79 n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1b79 n GLN 95 N -2.00 1.06 -0.37 1.61 6.02 -0.48 -4.01 117.38 119.22 1b79 n GLN 95 Ca 0.00 -0.30 0.01 0.00 -0.01 0.00 0.00 57.00 56.70 1b79 n GLN 95 Cb 0.00 -1.49 0.16 0.00 1.02 0.00 0.00 30.24 29.93 1b79 n GLN 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1b79 h LEU 96 N 0.73 1.07 -0.48 1.08 5.85 -1.64 -1.93 115.31 119.99 1b79 h LEU 96 Ca 0.00 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1b79 h LEU 96 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1b79 h LEU 96 CO 0.00 0.72 -0.13 0.44 -0.34 0.00 0.00 178.44 179.12 1b79 h ASP 97 N 1.23 0.94 0.31 1.25 3.32 -1.89 0.20 116.42 121.78 1b79 h ASP 97 Ca 0.41 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1b79 h ASP 97 Cb 0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1b79 h ASP 97 CO -0.14 1.10 -0.03 0.77 -1.72 0.00 0.00 179.24 179.21 1b79 h SER 98 N 0.78 0.00 0.54 6.45 4.64 -1.60 -2.15 113.55 122.21 1b79 h SER 98 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b79 h SER 98 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1b79 h SER 98 CO 0.05 0.03 -0.92 0.52 -0.87 0.00 0.00 176.83 175.64 1b79 n VAL 99 N -3.31 0.21 0.00 0.95 0.31 -1.01 -4.56 118.33 110.91 1b79 n VAL 99 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1b79 n VAL 99 Cb 0.17 0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 1b79 n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b79 n GLY 100 N 1.36 1.21 0.42 2.92 0.00 -0.81 -4.77 105.19 105.52 1b79 n GLY 100 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1b79 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b79 n GLY 101 N 0.00 -2.27 0.34 -0.02 0.00 0.68 -3.34 105.19 100.58 1b79 n GLY 101 Ca 0.00 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.74 1b79 n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1b79 h PHE 102 N -0.40 0.47 -0.73 1.61 3.57 -1.97 -2.42 116.94 117.07 1b79 h PHE 102 Ca -0.03 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 1b79 h PHE 102 Cb 0.39 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1b79 h PHE 102 CO 0.00 0.24 0.32 0.00 -2.23 0.00 0.00 178.31 176.65 1b79 h ALA 103 N 1.71 1.01 -0.35 2.41 0.00 -1.98 0.15 119.26 122.21 1b79 h ALA 103 Ca 0.25 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1b79 h ALA 103 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1b79 h ALA 103 CO -0.07 -0.13 -0.26 -0.92 0.00 0.00 0.00 179.25 177.86 1b79 h TYR 104 N 0.52 0.95 -0.70 0.00 3.20 -1.44 -0.82 116.97 118.67 1b79 h TYR 104 Ca 0.38 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1b79 h TYR 104 Cb 0.50 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1b79 h TYR 104 CO -0.14 1.03 0.24 -0.07 -1.64 0.00 0.00 178.16 177.59 1b79 h LEU 105 N 0.59 0.99 -0.46 2.82 3.38 -1.30 -0.53 115.31 120.80 1b79 h LEU 105 Ca 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1b79 h LEU 105 Cb 0.83 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1b79 h LEU 105 CO 0.07 0.90 0.22 0.00 0.09 0.00 0.00 178.44 179.73 1b79 h ALA 106 N 1.23 0.59 -0.67 1.53 0.00 -0.56 -1.48 119.26 119.91 1b79 h ALA 106 Ca 0.23 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1b79 h ALA 106 Cb 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1b79 h ALA 106 CO -0.01 0.15 0.43 1.49 0.00 0.00 0.00 179.25 181.31 1b79 h GLU 107 N 0.60 0.85 -0.65 0.00 4.81 -0.58 -1.32 114.58 118.29 1b79 h GLU 107 Ca 0.16 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1b79 h GLU 107 Cb 0.12 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1b79 h GLU 107 CO -0.02 0.56 0.30 -0.07 -0.73 0.00 0.00 179.01 179.05 1b79 h LEU 108 N 0.87 0.86 -0.81 1.64 3.38 -0.78 0.05 115.31 120.52 1b79 h LEU 108 Ca 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1b79 h LEU 108 Cb -0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1b79 h LEU 108 CO -0.07 0.76 0.52 -1.28 0.09 0.00 0.00 178.44 178.45 1b79 h SER 109 N 0.89 0.94 0.13 -0.43 0.87 -0.77 -3.11 113.55 112.08 1b79 h SER 109 Ca 0.22 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.51 1b79 h SER 109 Cb 0.14 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1b79 h SER 109 CO -0.03 0.70 -1.08 0.11 -0.53 0.00 0.00 176.83 176.00 1b79 h LYS 110 N 1.10 0.27 -0.75 2.24 1.57 -1.04 -3.38 116.57 116.57 1b79 h LYS 110 Ca 0.29 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1b79 h LYS 110 Cb -0.09 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1b79 h LYS 110 CO -0.06 1.22 0.40 -0.91 -0.57 0.00 0.00 179.45 179.53 1b79 h ASN 111 N -0.36 0.94 -3.25 0.86 4.21 -1.05 -3.41 115.58 113.52 1b79 h ASN 111 Ca -0.22 -0.08 -0.57 0.00 1.21 0.00 0.00 56.30 56.64 1b79 h ASN 111 Cb 1.69 -0.24 -0.06 0.00 -1.12 0.00 0.00 38.32 38.59 1b79 h ASN 111 CO 0.10 0.77 0.92 0.42 -1.29 0.00 0.00 177.43 178.36 1b79 s THR 112 N -5.67 4.27 0.41 2.81 -4.23 -1.17 -5.01 115.64 107.05 1b79 s THR 112 Ca -0.11 1.44 -0.25 0.00 -1.18 0.00 0.00 61.69 61.58 1b79 s THR 112 Cb 0.17 -4.28 -0.08 0.00 1.34 0.00 0.00 72.50 69.64 1b79 s THR 112 CO 0.81 -0.52 1.17 -2.16 -0.54 0.00 0.00 174.62 173.37 1b79 s PRO 113 N 4.01 4.02 0.56 3.99 0.04 -1.26 -4.84 135.00 141.52 1b79 s PRO 113 Ca 0.52 1.83 0.36 0.00 0.04 0.00 0.00 61.00 63.75 1b79 s PRO 113 Cb -0.14 -2.64 1.66 0.00 0.04 0.00 0.00 34.50 33.41 1b79 s PRO 113 CO 0.21 -0.34 2.08 0.66 0.04 0.00 0.00 177.00 179.64 1b79 h SER 114 N 2.56 0.00 -0.82 6.66 4.64 -1.95 -3.30 113.55 121.34 1b79 h SER 114 Ca -0.49 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.11 1b79 h SER 114 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 1b79 h SER 114 CO 0.62 0.00 2.81 0.00 -0.87 0.00 0.00 176.83 179.40 1b79 n ALA 115 N -2.06 6.89 -2.86 5.18 0.00 -1.26 -4.92 120.51 121.48 1b79 n ALA 115 Ca -0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 53.44 49.40 1b79 n ALA 115 Cb 0.22 -2.98 -0.10 0.00 0.00 0.00 0.00 19.45 16.60 1b79 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b79 s ALA 116 N -0.00 0.01 -0.76 0.00 0.00 -1.25 -5.10 121.76 114.66 1b79 s ALA 116 Ca 0.57 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 1b79 s ALA 116 Cb 0.18 0.18 0.13 0.00 0.00 0.00 0.00 23.12 23.60 1b79 s ALA 116 CO -0.08 -0.23 0.90 1.21 0.00 0.00 0.00 175.76 177.56 1b79 s ASN 117 N -1.74 6.43 0.28 0.00 3.84 -1.26 -4.90 114.94 117.58 1b79 s ASN 117 Ca -0.11 -1.79 -0.02 0.00 0.21 0.00 0.00 52.86 51.16 1b79 s ASN 117 Cb -0.06 -2.34 0.42 0.00 -0.55 0.00 0.00 41.25 38.73 1b79 s ASN 117 CO -0.02 -1.06 1.91 0.16 -2.79 0.00 0.00 177.10 175.30 1b79 h ILE 118 N 5.72 1.13 -0.86 -5.21 -0.00 -1.98 -2.11 117.51 114.19 1b79 h ILE 118 Ca -0.07 -0.40 -0.01 0.00 -0.00 0.00 0.00 64.86 64.38 1b79 h ILE 118 Cb 1.06 -0.14 -0.04 0.00 -0.00 0.00 0.00 36.82 37.70 1b79 h ILE 118 CO 1.06 0.21 0.50 0.28 -0.00 0.00 0.00 178.15 180.20 1b79 h SER 119 N 1.16 1.05 -0.07 2.16 0.02 -1.93 0.45 113.55 116.39 1b79 h SER 119 Ca 0.39 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1b79 h SER 119 Cb 0.09 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1b79 h SER 119 CO -0.14 0.82 0.02 0.00 -1.14 0.00 0.00 176.83 176.40 1b79 h ALA 120 N 1.27 0.09 -0.38 3.77 0.00 -1.84 -0.50 119.26 121.67 1b79 h ALA 120 Ca 0.31 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1b79 h ALA 120 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1b79 h ALA 120 CO -0.05 -0.31 -0.00 1.88 0.00 0.00 0.00 179.25 180.76 1b79 h TYR 121 N -0.06 0.63 -0.57 0.00 0.05 -0.94 -0.12 116.97 115.95 1b79 h TYR 121 Ca 0.02 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1b79 h TYR 121 Cb 0.19 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1b79 h TYR 121 CO -0.01 0.61 0.30 0.00 -1.05 0.00 0.00 178.16 178.00 1b79 h ALA 122 N 1.43 1.44 -0.01 3.88 0.00 0.39 0.06 119.26 126.44 1b79 h ALA 122 Ca 0.12 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1b79 h ALA 122 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1b79 h ALA 122 CO 0.01 0.45 -0.91 -0.44 0.00 0.00 0.00 179.25 178.36 1b79 h ASP 123 N 0.80 0.53 -0.74 0.00 3.32 -0.11 -2.22 116.42 118.01 1b79 h ASP 123 Ca 0.20 -0.42 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1b79 h ASP 123 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1b79 h ASP 123 CO -0.03 1.21 0.24 0.40 -1.72 0.00 0.00 179.24 179.34 1b79 h ILE 124 N 0.24 1.26 -0.37 0.35 2.04 -0.36 -2.39 117.51 118.28 1b79 h ILE 124 Ca -0.07 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 64.77 1b79 h ILE 124 Cb 1.54 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1b79 h ILE 124 CO 0.16 0.35 -0.27 0.58 0.00 0.00 0.00 178.15 178.97 1b79 h VAL 125 N 1.10 1.28 -0.26 1.67 2.07 -0.97 -3.04 116.25 118.10 1b79 h VAL 125 Ca 0.24 -1.40 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1b79 h VAL 125 Cb 0.29 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1b79 h VAL 125 CO -0.01 0.46 -0.07 -0.09 0.02 0.00 0.00 177.57 177.88 1b79 h ARG 126 N 0.66 0.41 -7.43 1.57 9.65 -1.08 -3.46 114.38 114.70 1b79 h ARG 126 Ca 0.08 -0.09 -0.47 0.00 -1.10 0.00 0.00 59.98 58.40 1b79 h ARG 126 Cb 0.79 -0.06 0.13 0.00 -1.39 0.00 0.00 29.97 29.45 1b79 h ARG 126 CO 0.07 0.50 0.28 -1.21 2.80 0.00 0.00 179.97 182.40 1b79 s GLU 127 N -4.84 1.22 0.00 0.20 0.41 -0.93 -5.08 118.70 109.69 1b79 s GLU 127 Ca -0.07 0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.95 1b79 s GLU 127 Cb 0.15 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.67 1b79 s GLU 127 CO 0.75 -2.18 0.00 0.54 -0.49 0.00 0.00 175.26 173.89