#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb7 n ALA 23 N 0.00 -0.03 0.03 -1.46 0.00 -1.26 -4.89 120.51 112.91 3gb7 n ALA 23 Ca 0.00 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.70 3gb7 n ALA 23 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 19.45 17.11 3gb7 n ALA 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gb7 h LEU 24 N 7.29 -1.28 -1.73 0.00 5.85 -2.05 -1.31 115.31 122.09 3gb7 h LEU 24 Ca -0.47 0.14 0.29 0.00 0.84 0.00 0.00 57.88 58.68 3gb7 h LEU 24 Cb 1.31 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 3gb7 h LEU 24 CO 0.94 -0.40 0.89 1.12 -0.34 0.00 0.00 178.44 180.65 3gb7 h HIS 25 N -0.50 0.00 0.00 1.25 2.07 -1.96 0.83 115.15 116.83 3gb7 h HIS 25 Ca 0.01 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.43 3gb7 h HIS 25 Cb 0.55 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 3gb7 h HIS 25 CO -0.49 0.00 -0.95 -1.49 -3.07 0.00 0.00 177.93 171.92 3gb7 h TRP 26 N 0.00 0.00 0.40 6.12 -0.00 -1.64 -3.03 115.95 117.80 3gb7 h TRP 26 Ca 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.34 3gb7 h TRP 26 Cb 2.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.41 3gb7 h TRP 26 CO 0.00 0.37 -0.19 0.00 -0.00 0.00 0.00 178.44 178.62 3gb7 h ARG 27 N 0.00 -0.52 -0.76 0.49 2.47 0.14 -2.93 114.38 113.27 3gb7 h ARG 27 Ca -0.07 0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3gb7 h ARG 27 Cb 1.34 0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.74 3gb7 h ARG 27 CO 0.04 -0.24 0.47 0.00 0.56 0.00 0.00 179.97 180.80 3gb7 h ALA 28 N -0.80 1.40 0.50 0.04 0.00 -1.56 0.30 119.26 119.14 3gb7 h ALA 28 Ca -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gb7 h ALA 28 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gb7 h ALA 28 CO 0.09 0.53 -0.32 0.00 0.00 0.00 0.00 179.25 179.55 3gb7 h ALA 29 N 1.48 -0.79 -0.50 0.00 0.00 -1.60 0.53 119.26 118.37 3gb7 h ALA 29 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gb7 h ALA 29 Cb -0.06 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gb7 h ALA 29 CO -0.05 -0.96 0.12 0.78 0.00 0.00 0.00 179.25 179.13 3gb7 h GLY 30 N -0.79 0.87 0.91 0.00 0.00 -1.34 -2.43 103.07 100.29 3gb7 h GLY 30 Ca -0.06 -0.54 0.07 0.00 0.00 0.00 0.00 47.33 46.80 3gb7 h GLY 30 CO 0.05 0.51 0.53 0.00 0.00 0.00 0.00 176.54 177.63 3gb7 h ALA 31 N 0.99 1.64 0.00 3.60 0.00 -0.14 0.46 119.26 125.80 3gb7 h ALA 31 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gb7 h ALA 31 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gb7 h ALA 31 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3gb7 h ALA 32 N 1.57 1.00 0.00 0.00 0.00 0.43 -1.58 119.26 120.67 3gb7 h ALA 32 Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 3gb7 h ALA 32 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gb7 h ALA 32 CO -0.13 0.00 -1.02 1.15 0.00 0.00 0.00 179.25 179.25 3gb7 h THR 33 N 0.00 0.65 0.10 0.00 2.02 0.35 -0.83 112.91 115.21 3gb7 h THR 33 Ca 0.00 -2.08 -0.18 0.00 0.77 0.00 0.00 66.41 64.92 3gb7 h THR 33 Cb 0.50 2.19 0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3gb7 h THR 33 CO 0.00 0.37 -0.88 1.62 0.37 0.00 0.00 175.52 177.00 3gb7 h VAL 34 N 0.00 1.39 0.00 3.16 3.04 -1.01 -3.04 116.25 119.79 3gb7 h VAL 34 Ca -0.09 -2.45 0.03 0.00 -1.01 0.00 0.00 66.70 63.18 3gb7 h VAL 34 Cb 1.48 3.04 -0.03 0.00 -2.01 0.00 0.00 31.29 33.77 3gb7 h VAL 34 CO 0.05 0.67 -0.17 0.25 -1.01 0.00 0.00 177.57 177.36 3gb7 h LEU 35 N -0.49 -0.51 -0.51 3.16 7.12 -1.39 0.16 115.31 122.86 3gb7 h LEU 35 Ca -0.18 0.07 0.09 0.00 0.13 0.00 0.00 57.88 57.99 3gb7 h LEU 35 Cb 1.56 0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 41.83 3gb7 h LEU 35 CO 0.08 -0.24 0.09 0.25 -0.13 0.00 0.00 178.44 178.50 3gb7 h LEU 36 N -0.29 -0.02 -0.80 2.25 5.85 -1.26 0.26 115.31 121.29 3gb7 h LEU 36 Ca 0.05 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3gb7 h LEU 36 Cb 0.35 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3gb7 h LEU 36 CO -0.16 0.02 0.52 0.58 -0.34 0.00 0.00 178.44 179.06 3gb7 h VAL 37 N 0.23 1.17 0.02 1.05 2.07 -1.29 0.51 116.25 120.00 3gb7 h VAL 37 Ca 0.26 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3gb7 h VAL 37 Cb 0.35 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3gb7 h VAL 37 CO -0.34 0.19 -0.01 0.40 0.02 0.00 0.00 177.57 177.83 3gb7 h ILE 38 N 1.05 1.06 -0.58 4.57 2.04 0.74 -0.86 117.51 125.52 3gb7 h ILE 38 Ca 0.31 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3gb7 h ILE 38 Cb -0.06 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3gb7 h ILE 38 CO -0.09 0.06 0.35 0.58 0.00 0.00 0.00 178.15 179.05 3gb7 h VAL 39 N -0.12 1.16 -0.67 1.67 2.07 -0.09 0.32 116.25 120.59 3gb7 h VAL 39 Ca -0.00 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3gb7 h VAL 39 Cb 0.12 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3gb7 h VAL 39 CO 0.00 0.17 0.22 -0.07 0.02 0.00 0.00 177.57 177.92 3gb7 h LEU 40 N 0.79 0.93 0.02 2.57 3.38 0.59 0.39 115.31 123.98 3gb7 h LEU 40 Ca 0.21 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3gb7 h LEU 40 Cb -0.03 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.48 3gb7 h LEU 40 CO -0.04 0.86 -0.24 -0.07 0.09 0.00 0.00 178.44 179.04 3gb7 h LEU 41 N 0.98 0.18 -1.24 1.67 3.38 -0.53 -2.86 115.31 116.88 3gb7 h LEU 41 Ca 0.22 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.35 3gb7 h LEU 41 Cb 0.25 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3gb7 h LEU 41 CO -0.01 1.01 0.51 0.00 0.09 0.00 0.00 178.44 180.04 3gb7 h ALA 42 N 0.18 1.45 0.05 1.53 0.00 -0.92 -2.31 119.26 119.24 3gb7 h ALA 42 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gb7 h ALA 42 Cb 1.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3gb7 h ALA 42 CO 0.05 0.50 -0.21 0.78 0.00 0.00 0.00 179.25 180.37 3gb7 h GLY 43 N 1.04 -0.33 0.28 0.00 0.00 -0.25 0.27 103.07 104.07 3gb7 h GLY 43 Ca 0.28 0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.98 3gb7 h GLY 43 CO -0.06 -0.19 0.28 1.76 0.00 0.00 0.00 176.54 178.33 3gb7 h SER 44 N -0.36 0.29 -0.03 0.19 0.02 -1.19 0.26 113.55 112.74 3gb7 h SER 44 Ca 0.04 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3gb7 h SER 44 Cb 0.41 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3gb7 h SER 44 CO -0.16 0.14 -0.01 0.22 -1.14 0.00 0.00 176.83 175.89 3gb7 h TYR 45 N 0.46 0.06 -0.40 3.45 3.20 -0.94 -2.80 116.97 120.01 3gb7 h TYR 45 Ca 0.37 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 3gb7 h TYR 45 Cb 0.50 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3gb7 h TYR 45 CO -0.16 0.40 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.58 3gb7 h LEU 46 N -0.29 0.70 0.39 2.82 3.38 -0.17 -2.52 115.31 119.62 3gb7 h LEU 46 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gb7 h LEU 46 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3gb7 h LEU 46 CO 0.00 0.84 -0.43 0.00 0.09 0.00 0.00 178.44 178.94 3gb7 h ALA 47 N 1.23 -0.93 -0.23 1.53 0.00 -0.47 -0.29 119.26 120.10 3gb7 h ALA 47 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gb7 h ALA 47 Cb 0.57 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3gb7 h ALA 47 CO 0.04 -1.07 -0.12 0.28 0.00 0.00 0.00 179.25 178.37 3gb7 h VAL 48 N -0.85 0.62 -0.97 0.00 2.07 -1.45 0.93 116.25 116.60 3gb7 h VAL 48 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 3gb7 h VAL 48 Cb 0.77 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 3gb7 h VAL 48 CO -0.09 0.00 0.58 0.25 0.02 0.00 0.00 177.57 178.33 3gb7 h LEU 49 N -0.10 0.77 0.10 2.57 5.85 -1.17 -0.20 115.31 123.13 3gb7 h LEU 49 Ca 0.13 0.08 -0.27 0.00 0.84 0.00 0.00 57.88 58.66 3gb7 h LEU 49 Cb 0.29 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3gb7 h LEU 49 CO -0.30 0.33 -1.29 0.00 -0.34 0.00 0.00 178.44 176.85 3gb7 h ALA 50 N 1.59 0.21 0.12 1.25 0.00 -0.30 -3.36 119.26 118.76 3gb7 h ALA 50 Ca 0.53 -0.97 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 3gb7 h ALA 50 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gb7 h ALA 50 CO -0.34 1.09 -1.22 0.93 0.00 0.00 0.00 179.25 179.70 3gb7 h GLU 51 N 0.06 0.27 -6.88 0.00 4.39 -0.40 -3.44 114.58 108.58 3gb7 h GLU 51 Ca -0.14 -0.45 -0.53 0.00 0.34 0.00 0.00 59.36 58.58 3gb7 h GLU 51 Cb 1.95 0.16 0.09 0.00 -0.10 0.00 0.00 28.75 30.85 3gb7 h GLU 51 CO 0.18 1.21 0.79 1.03 -1.16 0.00 0.00 179.01 181.06 3gb7 s ARG 52 N -2.68 4.16 0.00 2.33 0.52 -0.12 -1.63 118.95 121.52 3gb7 s ARG 52 Ca -0.04 2.51 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 3gb7 s ARG 52 Cb 0.07 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.53 3gb7 s ARG 52 CO 0.88 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.10 3gb7 n GLY 53 N 1.11 2.69 3.47 -3.53 0.00 -1.26 -4.97 105.19 102.70 3gb7 n GLY 53 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3gb7 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb7 s ALA 54 N -2.58 3.43 0.24 4.61 0.00 -0.64 -5.04 121.76 121.78 3gb7 s ALA 54 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.08 3gb7 s ALA 54 Cb 0.00 -3.07 -0.14 0.00 0.00 0.00 0.00 23.12 19.91 3gb7 s ALA 54 CO 0.00 -1.62 1.20 -2.30 0.00 0.00 0.00 175.76 173.04 3gb7 n PRO 55 N 5.59 1.54 -0.45 0.00 -0.02 -1.26 -1.32 135.00 139.07 3gb7 n PRO 55 Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3gb7 n PRO 55 Cb 0.47 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3gb7 n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gb7 n GLY 56 N 1.72 1.97 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.14 3gb7 n GLY 56 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3gb7 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gb7 s ALA 57 N -3.41 3.14 -0.10 4.61 0.00 -0.44 -4.95 121.76 120.61 3gb7 s ALA 57 Ca 0.00 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.10 3gb7 s ALA 57 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3gb7 s ALA 57 CO 0.00 -0.71 0.18 1.04 0.00 0.00 0.00 175.76 176.28 3gb7 n GLN 58 N -0.07 1.57 -1.96 0.00 6.02 -1.26 -4.73 117.38 116.95 3gb7 n GLN 58 Ca 0.05 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3gb7 n GLN 58 Cb 0.46 -1.06 -0.00 0.00 1.02 0.00 0.00 30.24 30.66 3gb7 n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3gb7 n LEU 59 N -1.56 7.07 0.00 1.08 7.94 -1.26 -4.57 117.00 125.70 3gb7 n LEU 59 Ca -0.01 -4.43 0.00 0.00 -1.11 0.00 0.00 56.01 50.46 3gb7 n LEU 59 Cb 0.15 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 42.55 3gb7 n LEU 59 CO 0.14 1.39 0.33 2.30 -1.11 0.00 0.00 177.39 180.44 3gb7 n ILE 60 N 3.95 0.34 -4.22 1.96 -5.35 -1.26 -4.06 119.36 110.72 3gb7 n ILE 60 Ca 0.50 -0.66 -0.17 0.00 -0.27 0.00 0.00 62.75 62.16 3gb7 n ILE 60 Cb 0.35 0.85 -0.13 0.00 -1.74 0.00 0.00 39.64 38.97 3gb7 n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3gb7 s THR 61 N -0.34 0.80 0.09 7.28 -4.23 -1.26 -4.96 115.64 113.03 3gb7 s THR 61 Ca 0.00 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 3gb7 s THR 61 Cb 0.00 -0.76 -0.15 0.00 1.34 0.00 0.00 72.50 72.93 3gb7 s THR 61 CO 0.00 -0.11 1.62 1.88 -0.54 0.00 0.00 174.62 177.47 3gb7 h TYR 62 N 4.96 -0.90 -0.53 3.99 -1.99 -1.96 -2.04 116.97 118.51 3gb7 h TYR 62 Ca -0.36 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.42 3gb7 h TYR 62 Cb 1.19 0.34 -0.07 0.00 2.00 0.00 0.00 36.73 40.19 3gb7 h TYR 62 CO 0.55 -0.49 -0.35 -1.35 -0.00 0.00 0.00 178.16 176.52 3gb7 h PRO 63 N -0.76 -0.05 -0.25 4.88 0.11 -1.98 0.14 132.00 134.09 3gb7 h PRO 63 Ca -0.04 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 3gb7 h PRO 63 Cb 0.66 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3gb7 h PRO 63 CO -0.00 -0.03 -0.11 0.07 -0.21 0.00 0.00 178.00 177.71 3gb7 h ARG 64 N -0.05 0.41 -0.08 1.05 0.11 -2.00 -1.75 114.38 112.08 3gb7 h ARG 64 Ca 0.09 -0.11 0.02 0.00 0.10 0.00 0.00 59.98 60.08 3gb7 h ARG 64 Cb 0.27 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 3gb7 h ARG 64 CO -0.52 0.53 0.06 0.00 0.10 0.00 0.00 179.97 180.14 3gb7 h ALA 65 N 1.50 1.96 -0.14 0.08 0.00 -0.26 0.23 119.26 122.64 3gb7 h ALA 65 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3gb7 h ALA 65 Cb 0.44 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gb7 h ALA 65 CO 0.02 -0.10 -0.57 1.25 0.00 0.00 0.00 179.25 179.85 3gb7 h LEU 66 N 0.00 0.74 -1.34 0.00 5.85 0.11 -2.47 115.31 118.19 3gb7 h LEU 66 Ca 0.04 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 3gb7 h LEU 66 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3gb7 h LEU 66 CO -0.00 1.24 -0.08 -0.25 -0.34 0.00 0.00 178.44 179.01 3gb7 h TRP 67 N 0.29 0.36 -0.62 1.25 2.91 -0.87 -2.15 115.95 117.12 3gb7 h TRP 67 Ca -0.03 -0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.87 3gb7 h TRP 67 Cb 1.20 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.73 3gb7 h TRP 67 CO 0.10 0.43 0.07 2.35 -1.03 0.00 0.00 178.44 180.36 3gb7 h TRP 68 N 0.33 1.12 0.31 2.65 7.01 -0.52 -2.09 115.95 124.76 3gb7 h TRP 68 Ca 0.07 -0.17 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 3gb7 h TRP 68 Cb 0.35 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3gb7 h TRP 68 CO 0.01 0.97 -0.15 0.77 -2.79 0.00 0.00 178.44 177.25 3gb7 h SER 69 N 0.96 -0.35 -0.23 2.65 0.02 -0.92 0.53 113.55 116.21 3gb7 h SER 69 Ca 0.19 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3gb7 h SER 69 Cb 0.47 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 3gb7 h SER 69 CO 0.02 -0.24 -0.04 0.58 -1.14 0.00 0.00 176.83 176.01 3gb7 h VAL 70 N -0.42 0.79 -0.43 2.27 2.07 -1.44 0.34 116.25 119.42 3gb7 h VAL 70 Ca -0.04 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.56 3gb7 h VAL 70 Cb 0.32 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 3gb7 h VAL 70 CO 0.07 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 177.08 3gb7 h GLU 71 N 0.02 -0.16 0.62 1.57 5.08 -1.15 -1.29 114.58 119.26 3gb7 h GLU 71 Ca 0.11 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3gb7 h GLU 71 Cb 0.16 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3gb7 h GLU 71 CO -0.22 -0.11 -0.30 1.15 -1.00 0.00 0.00 179.01 178.53 3gb7 h THR 72 N -0.17 0.36 -1.03 1.13 2.02 -0.10 -1.95 112.91 113.16 3gb7 h THR 72 Ca 0.20 -0.13 0.26 0.00 0.77 0.00 0.00 66.41 67.52 3gb7 h THR 72 Cb 0.49 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 3gb7 h THR 72 CO -0.53 0.02 0.67 0.00 0.37 0.00 0.00 175.52 176.05 3gb7 h ALA 73 N -0.57 2.28 -0.20 6.16 0.00 0.03 0.57 119.26 127.52 3gb7 h ALA 73 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gb7 h ALA 73 Cb 0.66 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gb7 h ALA 73 CO 0.14 -0.67 0.00 0.25 0.00 0.00 0.00 179.25 178.97 3gb7 n THR 74 N -4.59 0.25 -2.12 0.00 -2.24 -0.52 -3.94 114.28 101.12 3gb7 n THR 74 Ca 0.25 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3gb7 n THR 74 Cb 0.88 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 3gb7 n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gb7 n THR 75 N 0.67 -0.41 0.09 4.28 -2.24 0.20 -4.81 114.28 112.05 3gb7 n THR 75 Ca 0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.90 3gb7 n THR 75 Cb 0.42 -1.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.05 3gb7 n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3gb7 h VAL 76 N 0.00 1.60 -2.84 2.28 2.07 -1.61 -3.49 116.25 114.26 3gb7 h VAL 76 Ca -0.28 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.35 3gb7 h VAL 76 Cb 1.09 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3gb7 h VAL 76 CO 0.35 0.83 -0.32 0.61 0.02 0.00 0.00 177.57 179.06 3gb7 n GLY 77 N 0.91 0.00 0.14 2.17 0.00 -1.21 -4.85 105.19 102.33 3gb7 n GLY 77 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3gb7 n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gb7 h TYR 78 N 2.07 0.00 0.00 1.61 0.99 -1.92 -3.48 116.97 116.25 3gb7 h TYR 78 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gb7 h TYR 78 Cb 0.32 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.05 3gb7 h TYR 78 CO 0.00 0.45 0.00 0.41 -0.00 0.00 0.00 178.16 179.02 3gb7 n GLY 79 N 1.24 0.73 0.15 3.88 0.00 -1.26 -4.93 105.19 105.01 3gb7 n GLY 79 Ca -0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3gb7 n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gb7 h ASP 80 N 0.00 0.00 -3.63 1.61 2.03 -2.02 -3.45 116.42 110.96 3gb7 h ASP 80 Ca 0.00 -0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 56.16 3gb7 h ASP 80 Cb 0.00 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 38.25 3gb7 h ASP 80 CO 0.00 0.02 -0.22 -0.76 -1.03 0.00 0.00 179.24 177.24 3gb7 s LEU 81 N -5.28 0.13 -0.08 0.15 1.43 -1.26 -5.07 118.68 108.70 3gb7 s LEU 81 Ca 0.07 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.78 3gb7 s LEU 81 Cb 0.09 1.49 0.09 0.00 0.03 0.00 0.00 46.19 47.89 3gb7 s LEU 81 CO 0.67 -0.17 0.81 -0.72 0.23 0.00 0.00 176.35 177.17 3gb7 s TYR 82 N 0.68 -0.53 0.52 0.29 -0.85 -1.26 -4.94 117.35 111.26 3gb7 s TYR 82 Ca -0.04 0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 57.16 3gb7 s TYR 82 Cb -0.05 0.44 -0.07 0.00 0.38 0.00 0.00 41.96 42.66 3gb7 s TYR 82 CO -0.05 -0.52 1.09 -1.25 -1.52 0.00 0.00 175.55 173.30 3gb7 s PRO 83 N -1.42 3.53 0.00 -3.49 0.04 -1.26 -4.66 135.00 127.74 3gb7 s PRO 83 Ca -0.06 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3gb7 s PRO 83 Cb -0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3gb7 s PRO 83 CO 0.04 -0.68 0.13 1.33 0.04 0.00 0.00 177.00 177.86 3gb7 n VAL 84 N -1.19 0.00 -4.01 -0.36 0.24 -1.26 -4.83 118.33 106.92 3gb7 n VAL 84 Ca 0.11 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.34 61.80 3gb7 n VAL 84 Cb 0.52 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 3gb7 n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gb7 s THR 85 N -0.48 4.99 0.27 3.34 -4.23 -1.26 -5.01 115.64 113.26 3gb7 s THR 85 Ca 0.00 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 3gb7 s THR 85 Cb 0.00 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.50 3gb7 s THR 85 CO 0.00 -0.19 1.88 0.25 -0.54 0.00 0.00 174.62 176.03 3gb7 h LEU 86 N 1.89 1.04 -0.13 4.79 5.85 -1.97 -2.04 115.31 124.74 3gb7 h LEU 86 Ca -0.49 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.00 3gb7 h LEU 86 Cb 1.21 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.04 3gb7 h LEU 86 CO 0.64 0.66 -0.96 -0.50 -0.34 0.00 0.00 178.44 177.95 3gb7 h TRP 87 N 1.17 0.79 -0.49 1.25 4.06 -1.95 -1.51 115.95 119.27 3gb7 h TRP 87 Ca 0.43 -0.42 0.04 0.00 2.06 0.00 0.00 58.89 61.00 3gb7 h TRP 87 Cb 0.18 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3gb7 h TRP 87 CO -0.00 1.24 0.25 0.78 -3.56 0.00 0.00 178.44 177.15 3gb7 h GLY 88 N 0.91 0.69 1.13 1.49 0.00 -1.77 0.95 103.07 106.47 3gb7 h GLY 88 Ca -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3gb7 h GLY 88 CO 0.18 0.12 0.26 3.21 0.00 0.00 0.00 176.54 180.30 3gb7 h ARG 89 N 0.50 1.10 -0.85 4.80 3.08 -1.37 0.15 114.38 121.78 3gb7 h ARG 89 Ca 0.21 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3gb7 h ARG 89 Cb 0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3gb7 h ARG 89 CO -0.14 0.91 0.43 0.00 -1.07 0.00 0.00 179.97 180.11 3gb7 h VAL 91 N 1.20 1.25 -0.49 0.00 2.07 0.19 -2.88 116.25 117.59 3gb7 h VAL 91 Ca 0.30 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3gb7 h VAL 91 Cb 0.08 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3gb7 h VAL 91 CO -0.04 0.37 0.05 0.00 0.02 0.00 0.00 177.57 177.97 3gb7 h ALA 92 N 1.16 0.66 -0.78 1.67 0.00 0.23 -1.88 119.26 120.32 3gb7 h ALA 92 Ca 0.18 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gb7 h ALA 92 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3gb7 h ALA 92 CO 0.01 0.42 0.51 0.28 0.00 0.00 0.00 179.25 180.47 3gb7 h VAL 93 N 0.70 1.17 -0.22 0.00 2.07 -0.83 0.47 116.25 119.61 3gb7 h VAL 93 Ca 0.15 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3gb7 h VAL 93 Cb 0.44 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3gb7 h VAL 93 CO 0.01 0.19 -0.21 0.58 0.02 0.00 0.00 177.57 178.16 3gb7 h VAL 94 N 1.01 1.32 -0.06 2.57 2.07 -1.28 -1.58 116.25 120.31 3gb7 h VAL 94 Ca 0.29 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3gb7 h VAL 94 Cb -0.06 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3gb7 h VAL 94 CO -0.07 0.42 0.03 0.58 0.02 0.00 0.00 177.57 178.55 3gb7 h VAL 95 N 0.23 1.05 -0.16 2.57 2.07 -0.92 0.46 116.25 121.55 3gb7 h VAL 95 Ca 0.04 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3gb7 h VAL 95 Cb 0.76 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 3gb7 h VAL 95 CO 0.05 0.04 -0.25 0.24 0.02 0.00 0.00 177.57 177.68 3gb7 h MET 96 N 0.04 -0.29 -0.85 1.57 2.07 -0.91 0.22 114.93 116.78 3gb7 h MET 96 Ca 0.02 0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 3gb7 h MET 96 Cb 0.04 0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 3gb7 h MET 96 CO -0.00 -0.19 0.46 0.28 1.07 0.00 0.00 176.91 178.53 3gb7 h VAL 97 N -0.30 1.25 -0.20 -2.22 2.07 -1.14 0.27 116.25 115.98 3gb7 h VAL 97 Ca 0.11 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3gb7 h VAL 97 Cb 0.46 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3gb7 h VAL 97 CO -0.33 0.28 0.02 0.00 0.02 0.00 0.00 177.57 177.56 3gb7 h ALA 98 N 1.31 0.27 -0.06 1.67 0.00 -0.33 0.15 119.26 122.26 3gb7 h ALA 98 Ca 0.30 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gb7 h ALA 98 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3gb7 h ALA 98 CO -0.05 -0.04 -0.12 0.78 0.00 0.00 0.00 179.25 179.82 3gb7 h GLY 99 N 0.12 -0.09 1.02 0.00 0.00 -0.01 -0.42 103.07 103.69 3gb7 h GLY 99 Ca 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 3gb7 h GLY 99 CO 0.01 -0.13 0.24 -2.22 0.00 0.00 0.00 176.54 174.44 3gb7 h ILE 100 N -0.18 1.25 -0.55 2.60 2.04 -0.36 -1.51 117.51 120.80 3gb7 h ILE 100 Ca 0.07 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 3gb7 h ILE 100 Cb 0.27 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3gb7 h ILE 100 CO -0.17 0.32 -0.03 0.74 0.00 0.00 0.00 178.15 179.01 3gb7 h THR 101 N 0.97 1.26 0.65 -0.27 2.02 -0.47 -2.38 112.91 114.68 3gb7 h THR 101 Ca 0.22 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 3gb7 h THR 101 Cb 0.25 0.87 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3gb7 h THR 101 CO -0.01 0.40 -0.31 0.28 0.37 0.00 0.00 175.52 176.25 3gb7 h SER 102 N 0.87 -0.74 0.00 4.18 0.02 -0.90 -1.15 113.55 115.83 3gb7 h SER 102 Ca 0.16 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3gb7 h SER 102 Cb 0.55 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3gb7 h SER 102 CO 0.03 -0.41 0.21 -0.26 -1.14 0.00 0.00 176.83 175.26 3gb7 h PHE 103 N -1.12 0.00 0.00 3.45 0.05 -1.32 0.30 116.94 118.31 3gb7 h PHE 103 Ca -0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.70 3gb7 h PHE 103 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.62 3gb7 h PHE 103 CO 0.02 0.00 -1.92 0.41 -0.18 0.00 0.00 178.31 176.64 3gb7 n GLY 104 N -1.28 -0.93 0.07 -1.45 0.00 -0.90 -3.74 105.19 96.96 3gb7 n GLY 104 Ca -0.01 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.65 3gb7 n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gb7 n LEU 105 N -2.20 0.65 -0.07 0.99 7.94 0.10 -2.17 117.00 122.25 3gb7 n LEU 105 Ca -0.04 0.37 -0.19 0.00 -1.11 0.00 0.00 56.01 55.04 3gb7 n LEU 105 Cb 0.53 -0.28 -0.13 0.00 0.53 0.00 0.00 43.42 44.08 3gb7 n LEU 105 CO 0.43 -0.08 -0.22 0.58 -1.11 0.00 0.00 177.39 176.99 3gb7 h VAL 106 N 0.00 1.21 -0.69 1.96 2.07 -1.55 -3.11 116.25 116.14 3gb7 h VAL 106 Ca 0.00 -2.29 0.09 0.00 0.82 0.00 0.00 66.70 65.33 3gb7 h VAL 106 Cb 0.69 2.70 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 3gb7 h VAL 106 CO 0.00 0.50 0.33 0.74 0.02 0.00 0.00 177.57 179.16 3gb7 h THR 107 N -0.83 0.83 0.00 2.57 2.02 -1.64 0.57 112.91 116.43 3gb7 h THR 107 Ca -0.23 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3gb7 h THR 107 Cb 1.33 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3gb7 h THR 107 CO -0.08 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.91 3gb7 h ALA 108 N 1.43 1.00 0.11 6.16 0.00 -1.57 -1.78 119.26 124.61 3gb7 h ALA 108 Ca 0.34 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 3gb7 h ALA 108 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gb7 h ALA 108 CO -0.28 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 177.88 3gb7 h ALA 109 N 2.00 0.07 0.00 0.00 0.00 -0.02 -2.95 119.26 118.37 3gb7 h ALA 109 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3gb7 h ALA 109 Cb 0.37 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gb7 h ALA 109 CO 0.00 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.78 3gb7 h LEU 110 N -0.42 0.00 0.19 0.00 3.38 -0.01 -1.71 115.31 116.75 3gb7 h LEU 110 Ca -0.23 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.46 3gb7 h LEU 110 Cb 1.64 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.42 3gb7 h LEU 110 CO 0.07 0.00 -1.28 0.00 0.09 0.00 0.00 178.44 177.32 3gb7 h ALA 111 N 2.02 -0.05 0.00 1.53 0.00 -1.38 -2.06 119.26 119.32 3gb7 h ALA 111 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3gb7 h ALA 111 Cb 0.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gb7 h ALA 111 CO 0.00 0.64 0.00 1.15 0.00 0.00 0.00 179.25 181.04 3gb7 h THR 112 N -0.10 0.00 0.06 0.00 2.02 -1.20 -0.05 112.91 113.64 3gb7 h THR 112 Ca -0.24 -0.38 -0.18 0.00 0.77 0.00 0.00 66.41 66.38 3gb7 h THR 112 Cb 1.93 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 3gb7 h THR 112 CO 0.19 0.00 -0.93 -0.25 0.37 0.00 0.00 175.52 174.90 3gb7 h TRP 113 N 0.00 0.24 -0.05 3.16 7.01 -1.34 -2.89 115.95 122.08 3gb7 h TRP 113 Ca 0.00 -0.17 -0.09 0.00 2.11 0.00 0.00 58.89 60.74 3gb7 h TRP 113 Cb 0.39 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 3gb7 h TRP 113 CO 0.00 1.36 -0.37 0.74 -2.79 0.00 0.00 178.44 177.38 3gb7 h PHE 114 N -0.66 0.10 -0.17 2.65 0.04 -1.18 -1.96 116.94 115.75 3gb7 h PHE 114 Ca -0.22 -0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.36 3gb7 h PHE 114 Cb 1.44 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.56 3gb7 h PHE 114 CO 0.17 0.45 -0.60 0.28 -0.60 0.00 0.00 178.31 178.01 3gb7 h VAL 115 N 0.08 1.32 -0.22 -0.55 2.07 -1.13 -1.98 116.25 115.84 3gb7 h VAL 115 Ca 0.01 -1.86 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 3gb7 h VAL 115 Cb 0.70 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3gb7 h VAL 115 CO 0.05 0.58 -0.06 1.23 0.02 0.00 0.00 177.57 179.39 3gb7 h GLY 116 N 1.02 0.46 1.01 2.17 0.00 -1.25 -1.53 103.07 104.95 3gb7 h GLY 116 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3gb7 h GLY 116 CO 0.11 0.36 0.08 3.21 0.00 0.00 0.00 176.54 180.30 3gb7 h ARG 117 N 0.16 0.89 -0.19 4.80 2.47 -1.39 -2.97 114.38 118.15 3gb7 h ARG 117 Ca 0.05 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3gb7 h ARG 117 Cb 0.52 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3gb7 h ARG 117 CO 0.02 0.88 0.10 1.49 0.56 0.00 0.00 179.97 183.02 3gb7 h GLU 118 N 0.78 0.27 0.00 0.04 4.57 -1.36 -2.10 114.58 116.78 3gb7 h GLU 118 Ca 0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3gb7 h GLU 118 Cb 0.42 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3gb7 h GLU 118 CO 0.01 0.28 0.12 0.94 -1.18 0.00 0.00 179.01 179.18 3gb7 n GLN 119 N -4.89 0.05 -0.04 1.92 -0.06 -0.58 -0.91 117.38 112.87 3gb7 n GLN 119 Ca -0.04 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 3gb7 n GLN 119 Cb 0.08 -1.79 -0.11 0.00 -4.06 0.00 0.00 30.24 24.36 3gb7 n GLN 119 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 3gb7 n GLU 120 N -1.75 1.15 -0.07 3.69 0.28 -0.92 -2.50 120.64 120.52 3gb7 n GLU 120 Ca -0.01 -0.07 0.02 0.00 -0.16 0.00 0.00 57.16 56.94 3gb7 n GLU 120 Cb 0.13 -1.34 0.05 0.00 1.43 0.00 0.00 31.44 31.72 3gb7 n GLU 120 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3gb7 n ARG 121 N -2.25 1.34 0.00 3.44 0.00 -0.09 -3.70 116.66 115.39 3gb7 n ARG 121 Ca -0.12 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.29 3gb7 n ARG 121 Cb 0.66 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.93 3gb7 n ARG 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3gb7 n ARG 122 N -0.11 2.45 0.00 -0.14 1.74 -1.10 -5.06 116.66 114.44 3gb7 n ARG 122 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3gb7 n ARG 122 Cb 0.15 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 3gb7 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gb7 n GLY 123 N 1.58 1.29 0.00 -0.13 0.00 -1.24 -5.13 105.19 101.55 3gb7 n GLY 123 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3gb7 n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74