#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6p h TYR 21 N 0.00 0.00 -0.37 1.61 0.05 -2.02 -3.14 116.97 113.10 3h6p h TYR 21 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h6p h TYR 21 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3h6p h TYR 21 CO 0.00 0.32 0.23 0.00 -1.05 0.00 0.00 178.16 177.65 3h6p h ALA 22 N 1.68 0.47 -0.44 3.88 0.00 -1.97 0.02 119.26 122.91 3h6p h ALA 22 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3h6p h ALA 22 Cb 0.73 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3h6p h ALA 22 CO 0.04 -0.04 -0.10 0.78 0.00 0.00 0.00 179.25 179.93 3h6p h GLY 23 N 0.49 0.86 0.82 0.00 0.00 -1.99 -1.54 103.07 101.71 3h6p h GLY 23 Ca 0.13 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3h6p h GLY 23 CO -0.03 0.59 -0.09 -0.84 0.00 0.00 0.00 176.54 176.18 3h6p h THR 24 N 0.72 1.30 -0.47 4.70 2.02 -1.44 -0.39 112.91 119.35 3h6p h THR 24 Ca 0.12 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.18 3h6p h THR 24 Cb 0.58 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3h6p h THR 24 CO 0.04 0.35 0.29 -0.07 0.37 0.00 0.00 175.52 176.50 3h6p h LEU 25 N 0.15 0.49 -0.16 2.58 3.38 -0.96 -0.67 115.31 120.12 3h6p h LEU 25 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h6p h LEU 25 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3h6p h LEU 25 CO 0.03 0.35 0.10 -0.61 0.09 0.00 0.00 178.44 178.40 3h6p h GLN 26 N 0.59 0.22 -0.32 1.13 5.75 -1.19 -0.62 115.11 120.67 3h6p h GLN 26 Ca 0.18 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.54 3h6p h GLN 26 Cb -0.03 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3h6p h GLN 26 CO -0.06 0.18 -0.28 0.66 -2.65 0.00 0.00 178.83 176.67 3h6p h SER 27 N 0.20 0.80 -0.63 -0.69 4.64 -0.90 -1.28 113.55 115.69 3h6p h SER 27 Ca 0.06 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 3h6p h SER 27 Cb 0.01 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.83 3h6p h SER 27 CO -0.01 1.09 0.34 -0.07 -0.87 0.00 0.00 176.83 177.31 3h6p h LEU 28 N 0.52 0.51 -0.92 5.97 3.38 -1.13 -0.71 115.31 122.92 3h6p h LEU 28 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h6p h LEU 28 Cb 0.85 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3h6p h LEU 28 CO 0.07 0.34 0.55 1.23 0.09 0.00 0.00 178.44 180.72 3h6p h GLY 29 N 0.64 1.34 1.31 0.83 0.00 -0.91 -1.25 103.07 105.03 3h6p h GLY 29 Ca 0.28 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3h6p h GLY 29 CO -0.17 0.55 -0.06 0.00 0.00 0.00 0.00 176.54 176.86 3h6p h ALA 30 N 1.30 1.00 -0.74 3.60 0.00 -0.94 -1.87 119.26 121.61 3h6p h ALA 30 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h6p h ALA 30 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3h6p h ALA 30 CO -0.06 0.60 0.47 -0.44 0.00 0.00 0.00 179.25 179.82 3h6p h ASP 31 N 0.76 0.88 -0.33 0.00 3.32 -0.66 -1.39 116.42 118.99 3h6p h ASP 31 Ca 0.14 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 3h6p h ASP 31 Cb 0.54 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3h6p h ASP 31 CO 0.03 0.66 -0.43 0.40 -1.72 0.00 0.00 179.24 178.18 3h6p h ILE 32 N 1.01 1.28 -0.88 0.35 2.04 -1.18 -1.12 117.51 119.02 3h6p h ILE 32 Ca 0.27 -1.60 0.04 0.00 1.00 0.00 0.00 64.86 64.57 3h6p h ILE 32 Cb -0.07 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3h6p h ILE 32 CO -0.05 0.53 0.56 0.00 0.00 0.00 0.00 178.15 179.19 3h6p h ALA 33 N 0.72 1.18 -0.19 1.87 0.00 -1.11 -0.94 119.26 120.79 3h6p h ALA 33 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h6p h ALA 33 Cb 1.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3h6p h ALA 33 CO 0.10 0.38 -0.01 1.03 0.00 0.00 0.00 179.25 180.76 3h6p h SER 34 N 1.07 0.33 -0.53 0.00 0.87 -1.13 -1.91 113.55 112.24 3h6p h SER 34 Ca 0.36 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 3h6p h SER 34 Cb 0.06 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3h6p h SER 34 CO -0.13 0.57 0.02 -0.08 -0.53 0.00 0.00 176.83 176.68 3h6p h GLU 35 N 0.08 0.97 -0.73 2.24 4.57 -0.99 0.14 114.58 120.87 3h6p h GLU 35 Ca 0.05 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 3h6p h GLU 35 Cb 0.40 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3h6p h GLU 35 CO 0.01 0.94 0.28 0.37 -1.18 0.00 0.00 179.01 179.43 3h6p h GLN 36 N 0.90 1.10 -0.62 1.92 -0.00 -1.09 -0.72 115.11 116.59 3h6p h GLN 36 Ca 0.17 -0.21 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 3h6p h GLN 36 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 27.77 3h6p h GLN 36 CO 0.02 0.91 0.14 0.00 0.00 0.00 0.00 178.83 179.90 3h6p h ALA 37 N 1.14 0.82 -0.58 3.38 0.00 -0.90 -2.60 119.26 120.52 3h6p h ALA 37 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h6p h ALA 37 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h6p h ALA 37 CO -0.02 0.54 0.32 0.28 0.00 0.00 0.00 179.25 180.37 3h6p h VAL 38 N 0.92 1.17 -0.46 0.00 2.07 -0.37 -2.37 116.25 117.21 3h6p h VAL 38 Ca 0.19 -0.43 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 3h6p h VAL 38 Cb 0.37 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 3h6p h VAL 38 CO 0.00 0.19 0.17 0.18 0.02 0.00 0.00 177.57 178.14 3h6p n LEU 39 N -4.40 4.49 0.06 2.57 4.77 -0.31 -4.62 117.00 119.57 3h6p n LEU 39 Ca 0.05 -2.32 0.01 0.00 -0.03 0.00 0.00 56.01 53.73 3h6p n LEU 39 Cb 0.09 -0.65 0.36 0.00 -2.33 0.00 0.00 43.42 40.89 3h6p n LEU 39 CO 0.37 0.63 0.93 0.77 -1.33 0.00 0.00 177.39 178.76 3h6p h SER 40 N 1.64 0.35 0.36 -1.43 4.64 -1.07 -0.98 113.55 117.06 3h6p h SER 40 Ca 0.17 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3h6p h SER 40 Cb 1.72 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3h6p h SER 40 CO 0.46 0.45 -0.09 0.77 -0.87 0.00 0.00 176.83 177.56 3h6p h SER 41 N 0.37 0.00 0.09 4.97 4.64 -1.85 -2.32 113.55 119.44 3h6p h SER 41 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3h6p h SER 41 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3h6p h SER 41 CO 0.01 0.09 -0.15 0.00 -0.87 0.00 0.00 176.83 175.91 3h6p n ALA 42 N -2.24 2.86 -2.49 5.18 0.00 -0.37 -4.89 120.51 118.54 3h6p n ALA 42 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 3h6p n ALA 42 Cb 0.21 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3h6p n ALA 42 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3h6p s TRP 43 N -2.25 2.94 -0.11 0.00 -0.11 -0.88 -4.99 118.94 113.54 3h6p s TRP 43 Ca 0.30 1.09 -0.29 0.00 1.22 0.00 0.00 56.10 58.41 3h6p s TRP 43 Cb 0.20 -3.58 -0.04 0.00 -1.50 0.00 0.00 33.47 28.55 3h6p s TRP 43 CO 0.43 -1.36 1.57 -0.65 -4.62 0.00 0.00 176.95 172.32 3h6p s GLN 44 N 3.62 4.11 0.00 5.86 -0.21 -1.26 -4.92 119.66 126.86 3h6p s GLN 44 Ca 0.52 1.99 0.19 0.00 0.02 0.00 0.00 55.36 58.08 3h6p s GLN 44 Cb -0.18 -3.95 0.54 0.00 1.00 0.00 0.00 33.01 30.42 3h6p s GLN 44 CO 0.15 -0.91 1.44 0.41 -2.12 0.00 0.00 175.29 174.26 3h6p n GLY 45 N 4.14 1.04 0.39 3.09 0.00 -1.26 -4.21 105.19 108.37 3h6p n GLY 45 Ca 0.17 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.72 3h6p n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h6p n ASP 46 N 0.85 1.94 -0.17 1.61 5.75 -1.26 -4.69 116.55 120.57 3h6p n ASP 46 Ca 0.17 -3.47 0.07 0.00 -0.01 0.00 0.00 54.79 51.55 3h6p n ASP 46 Cb 0.43 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.01 3h6p n ASP 46 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3h6p n THR 47 N -1.20 0.00 0.00 2.12 -2.24 -1.26 -5.07 114.28 106.63 3h6p n THR 47 Ca 0.17 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3h6p n THR 47 Cb 0.68 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3h6p n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h6p n GLY 48 N 1.20 0.60 3.74 3.38 0.00 -1.26 -5.10 105.19 107.74 3h6p n GLY 48 Ca 0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3h6p n GLY 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h6p s ILE 49 N 0.00 2.15 0.79 -0.61 2.07 -1.26 -4.99 121.20 119.36 3h6p s ILE 49 Ca 0.00 0.12 -0.12 0.00 -1.41 0.00 0.00 60.65 59.24 3h6p s ILE 49 Cb 0.00 -3.08 0.07 0.00 0.13 0.00 0.00 42.46 39.58 3h6p s ILE 49 CO 0.00 0.01 1.16 0.42 -1.91 0.00 0.00 174.94 174.62 3h6p s THR 50 N 0.54 2.33 0.15 4.00 -4.23 -1.26 -4.83 115.64 112.34 3h6p s THR 50 Ca 0.68 0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 3h6p s THR 50 Cb -0.48 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3h6p s THR 50 CO 0.40 -0.14 1.76 0.22 -0.54 0.00 0.00 174.62 176.32 3h6p h TYR 51 N -1.00 0.22 -0.21 3.99 3.20 -1.94 -0.19 116.97 121.04 3h6p h TYR 51 Ca -0.46 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.23 3h6p h TYR 51 Cb 1.31 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3h6p h TYR 51 CO 0.35 0.10 -0.66 1.96 -1.64 0.00 0.00 178.16 178.28 3h6p h GLN 52 N 0.27 0.78 -0.48 1.82 4.20 -2.00 -2.57 115.11 117.13 3h6p h GLN 52 Ca 0.14 -0.56 0.08 0.00 0.06 0.00 0.00 58.65 58.37 3h6p h GLN 52 Cb 0.10 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.90 3h6p h GLN 52 CO -0.13 1.18 0.07 0.78 -0.67 0.00 0.00 178.83 180.06 3h6p h GLY 53 N 0.72 0.56 0.97 3.46 0.00 -1.88 -1.17 103.07 105.72 3h6p h GLY 53 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3h6p h GLY 53 CO 0.14 -0.08 0.16 -0.25 0.00 0.00 0.00 176.54 176.51 3h6p h TRP 54 N 0.20 0.31 -0.46 5.60 7.01 -0.95 -0.68 115.95 126.96 3h6p h TRP 54 Ca 0.24 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.31 3h6p h TRP 54 Cb 0.33 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 3h6p h TRP 54 CO -0.24 0.19 0.14 1.96 -2.79 0.00 0.00 178.44 177.70 3h6p h GLN 55 N 0.33 0.29 -0.38 2.65 1.08 -1.04 0.25 115.11 118.29 3h6p h GLN 55 Ca 0.10 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3h6p h GLN 55 Cb -0.02 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3h6p h GLN 55 CO -0.04 0.19 0.12 1.15 -0.95 0.00 0.00 178.83 179.31 3h6p h THR 56 N 0.30 1.21 -0.36 -0.54 2.02 -0.92 -1.91 112.91 112.70 3h6p h THR 56 Ca 0.22 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 3h6p h THR 56 Cb 0.25 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3h6p h THR 56 CO -0.25 0.24 -0.31 1.56 0.37 0.00 0.00 175.52 177.13 3h6p h GLN 57 N 0.46 0.79 -0.41 6.66 1.08 -0.89 -2.50 115.11 120.30 3h6p h GLN 57 Ca 0.12 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 3h6p h GLN 57 Cb 0.25 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3h6p h GLN 57 CO -0.00 0.99 0.17 2.35 -0.95 0.00 0.00 178.83 181.38 3h6p h TRP 58 N 0.67 0.62 -0.63 2.96 2.91 -0.37 -1.37 115.95 120.73 3h6p h TRP 58 Ca 0.07 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 3h6p h TRP 58 Cb 0.84 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.28 3h6p h TRP 58 CO 0.05 0.55 0.31 -0.97 -1.03 0.00 0.00 178.44 177.34 3h6p h ASN 59 N 0.52 0.82 -0.37 2.65 -1.24 -1.23 -1.08 115.58 115.66 3h6p h ASN 59 Ca 0.14 -0.13 -0.14 0.00 0.71 0.00 0.00 56.30 56.88 3h6p h ASN 59 Cb 0.19 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3h6p h ASN 59 CO -0.01 0.72 -0.31 -0.61 -1.29 0.00 0.00 177.43 175.92 3h6p h GLN 60 N 0.87 0.90 -0.62 6.67 5.75 -1.38 -2.16 115.11 125.14 3h6p h GLN 60 Ca 0.22 -0.43 -0.08 0.00 -0.15 0.00 0.00 58.65 58.21 3h6p h GLN 60 Cb 0.11 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3h6p h GLN 60 CO -0.03 1.08 0.08 0.00 -2.65 0.00 0.00 178.83 177.31 3h6p h ALA 61 N 0.88 0.95 -0.20 3.38 0.00 -0.94 -0.71 119.26 122.62 3h6p h ALA 61 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3h6p h ALA 61 Cb 0.89 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3h6p h ALA 61 CO 0.08 0.65 -0.09 1.25 0.00 0.00 0.00 179.25 181.14 3h6p h LEU 62 N 0.97 0.43 -0.36 0.00 5.85 -1.17 0.48 115.31 121.51 3h6p h LEU 62 Ca 0.19 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.53 3h6p h LEU 62 Cb 0.45 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3h6p h LEU 62 CO 0.02 0.73 0.19 -0.08 -0.34 0.00 0.00 178.44 178.96 3h6p h GLU 63 N 0.12 0.38 -0.90 1.25 4.81 -1.29 0.63 114.58 119.58 3h6p h GLU 63 Ca 0.05 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3h6p h GLU 63 Cb 0.56 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 3h6p h GLU 63 CO 0.03 0.25 0.58 -0.44 -0.73 0.00 0.00 179.01 178.70 3h6p h ASP 64 N 0.39 0.97 -0.02 1.04 3.32 -0.94 -0.62 116.42 120.56 3h6p h ASP 64 Ca 0.15 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3h6p h ASP 64 Cb 0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3h6p h ASP 64 CO -0.10 0.66 -0.00 0.25 -1.72 0.00 0.00 179.24 178.33 3h6p h LEU 65 N 1.13 0.03 -0.30 1.55 5.85 -0.46 -1.12 115.31 121.99 3h6p h LEU 65 Ca 0.36 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3h6p h LEU 65 Cb 0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3h6p h LEU 65 CO -0.12 0.34 0.15 0.58 -0.34 0.00 0.00 178.44 179.04 3h6p h VAL 66 N -0.28 1.15 -0.68 1.05 2.07 -0.67 -1.22 116.25 117.66 3h6p h VAL 66 Ca 0.00 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3h6p h VAL 66 Cb 0.32 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3h6p h VAL 66 CO 0.00 0.15 0.20 0.03 0.02 0.00 0.00 177.57 177.97 3h6p h ARG 67 N 0.35 1.05 -0.45 1.57 2.47 -1.12 -1.52 114.38 116.73 3h6p h ARG 67 Ca 0.10 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.49 3h6p h ARG 67 Cb 0.11 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3h6p h ARG 67 CO -0.01 0.90 -0.16 0.00 0.56 0.00 0.00 179.97 181.26 3h6p h ALA 68 N 1.21 0.86 -0.65 0.04 0.00 -1.03 -1.17 119.26 118.51 3h6p h ALA 68 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3h6p h ALA 68 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h6p h ALA 68 CO -0.01 0.64 0.31 -0.92 0.00 0.00 0.00 179.25 179.27 3h6p h TYR 69 N 0.77 0.95 -0.44 0.00 3.20 -0.83 -1.82 116.97 118.79 3h6p h TYR 69 Ca 0.11 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3h6p h TYR 69 Cb 0.69 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3h6p h TYR 69 CO 0.04 0.72 -0.02 1.96 -1.64 0.00 0.00 178.16 179.22 3h6p h GLN 70 N 0.90 0.73 -0.74 1.82 4.20 -1.07 -2.14 115.11 118.81 3h6p h GLN 70 Ca 0.22 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3h6p h GLN 70 Cb 0.13 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 3h6p h GLN 70 CO -0.03 0.76 0.34 0.77 -0.67 0.00 0.00 178.83 180.00 3h6p h SER 71 N 0.68 0.97 -0.38 1.46 0.02 -0.86 -1.73 113.55 113.72 3h6p h SER 71 Ca 0.13 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 3h6p h SER 71 Cb 0.45 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3h6p h SER 71 CO 0.02 0.84 -0.23 0.24 -1.14 0.00 0.00 176.83 176.56 3h6p h MET 72 N 1.06 0.88 0.00 3.45 2.86 -1.03 -3.17 114.93 118.98 3h6p h MET 72 Ca 0.25 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3h6p h MET 72 Cb 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3h6p h MET 72 CO -0.03 1.02 -0.30 0.77 1.06 0.00 0.00 176.91 179.43 3h6p h SER 73 N 0.76 0.00 -3.17 1.22 0.02 -1.24 -3.47 113.55 107.68 3h6p h SER 73 Ca 0.10 -0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 60.40 3h6p h SER 73 Cb 0.78 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 3h6p h SER 73 CO 0.06 0.04 0.83 -0.83 -1.14 0.00 0.00 176.83 175.79 3h6p s GLY 74 N -3.77 1.63 0.00 -3.77 0.00 -0.66 -5.09 107.32 95.66 3h6p s GLY 74 Ca 0.08 0.09 0.17 0.00 0.00 0.00 0.00 44.72 45.06 3h6p s GLY 74 CO 0.67 2.25 1.40 -0.37 0.00 0.00 0.00 173.10 177.05