#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe6 n SER 2 N 0.00 3.02 0.18 1.61 3.41 -1.26 -4.48 113.62 116.10 1fe6 n SER 2 Ca 0.00 -2.13 0.07 0.00 -0.26 0.00 0.00 58.87 56.54 1fe6 n SER 2 Cb 0.00 -0.40 0.56 0.00 -0.26 0.00 0.00 64.21 64.11 1fe6 n SER 2 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1fe6 h ILE 3 N 2.90 1.04 -0.39 -1.33 2.10 -2.05 -1.74 117.51 118.04 1fe6 h ILE 3 Ca 0.00 -0.10 -0.10 0.00 1.08 0.00 0.00 64.86 65.74 1fe6 h ILE 3 Cb 0.85 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1fe6 h ILE 3 CO 0.07 0.04 -0.15 0.40 -1.08 0.00 0.00 178.15 177.43 1fe6 h ILE 4 N 0.17 1.28 -0.40 2.19 2.04 -1.99 0.82 117.51 121.62 1fe6 h ILE 4 Ca 0.05 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 1fe6 h ILE 4 Cb 0.00 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1fe6 h ILE 4 CO -0.01 0.42 0.07 0.78 0.00 0.00 0.00 178.15 179.42 1fe6 h ASN 5 N 0.59 0.63 -0.52 1.72 -0.26 -1.79 -1.57 115.58 114.38 1fe6 h ASN 5 Ca 0.09 -0.25 -0.08 0.00 -0.56 0.00 0.00 56.30 55.50 1fe6 h ASN 5 Cb 0.69 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 1fe6 h ASN 5 CO 0.05 0.72 0.03 -0.33 -1.06 0.00 0.00 177.43 176.84 1fe6 h GLU 6 N 0.51 0.95 -0.45 0.81 5.08 -1.23 -1.76 114.58 118.50 1fe6 h GLU 6 Ca 0.12 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1fe6 h GLU 6 Cb 0.36 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1fe6 h GLU 6 CO 0.01 0.92 -0.21 1.15 -1.00 0.00 0.00 179.01 179.88 1fe6 h THR 7 N 0.88 1.27 -0.53 1.13 2.02 -0.70 -0.76 112.91 116.22 1fe6 h THR 7 Ca 0.17 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.99 1fe6 h THR 7 Cb 0.48 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1fe6 h THR 7 CO 0.02 0.46 0.29 0.00 0.37 0.00 0.00 175.52 176.66 1fe6 h ALA 8 N 0.97 0.67 -0.47 6.16 0.00 -1.04 0.28 119.26 125.83 1fe6 h ALA 8 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1fe6 h ALA 8 Cb 0.76 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1fe6 h ALA 8 CO 0.06 0.19 0.11 -0.44 0.00 0.00 0.00 179.25 179.17 1fe6 h ASP 9 N 0.70 0.67 -0.09 0.00 3.45 -1.07 -1.12 116.42 118.96 1fe6 h ASP 9 Ca 0.18 -0.11 -0.15 0.00 0.43 0.00 0.00 57.03 57.39 1fe6 h ASP 9 Cb 0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1fe6 h ASP 9 CO -0.03 0.67 -0.44 0.44 -1.57 0.00 0.00 179.24 178.31 1fe6 h ASP 10 N 0.70 0.69 -0.24 6.45 3.32 -0.44 0.32 116.42 127.21 1fe6 h ASP 10 Ca 0.16 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1fe6 h ASP 10 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1fe6 h ASP 10 CO -0.00 1.03 0.05 0.40 -1.72 0.00 0.00 179.24 179.00 1fe6 h ILE 11 N 0.52 1.21 -0.51 0.35 2.04 -0.49 -0.21 117.51 120.42 1fe6 h ILE 11 Ca 0.04 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1fe6 h ILE 11 Cb 0.97 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1fe6 h ILE 11 CO 0.09 0.22 0.24 0.58 0.00 0.00 0.00 178.15 179.28 1fe6 h VAL 12 N 0.20 1.20 -0.07 1.67 2.07 -1.12 -1.58 116.25 118.62 1fe6 h VAL 12 Ca 0.07 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1fe6 h VAL 12 Cb 0.29 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1fe6 h VAL 12 CO 0.00 0.22 0.04 0.22 0.02 0.00 0.00 177.57 178.07 1fe6 h TYR 13 N 0.68 0.08 -0.50 1.57 3.20 -0.75 -0.54 116.97 120.71 1fe6 h TYR 13 Ca 0.17 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1fe6 h TYR 13 Cb 0.13 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1fe6 h TYR 13 CO -0.00 0.07 0.23 0.00 -1.64 0.00 0.00 178.16 176.82 1fe6 h ARG 14 N 0.07 0.73 0.00 1.82 3.08 -0.92 -2.53 114.38 116.63 1fe6 h ARG 14 Ca 0.02 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1fe6 h ARG 14 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1fe6 h ARG 14 CO -0.00 0.62 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.04 1fe6 h LEU 15 N 0.66 0.00 -0.59 3.04 3.38 -1.22 -2.78 115.31 117.80 1fe6 h LEU 15 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1fe6 h LEU 15 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1fe6 h LEU 15 CO -0.02 0.41 0.10 0.74 0.09 0.00 0.00 178.44 179.76 1fe6 h THR 16 N 0.00 1.26 -0.32 0.22 2.02 -0.79 0.14 112.91 115.43 1fe6 h THR 16 Ca -0.00 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.21 1fe6 h THR 16 Cb 0.94 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1fe6 h THR 16 CO 0.05 0.36 0.19 0.58 0.37 0.00 0.00 175.52 177.08 1fe6 h VAL 17 N 0.88 1.05 0.09 3.16 2.07 -1.22 0.90 116.25 123.18 1fe6 h VAL 17 Ca 0.18 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1fe6 h VAL 17 Cb 0.41 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1fe6 h VAL 17 CO 0.01 0.07 -0.04 0.40 0.02 0.00 0.00 177.57 178.03 1fe6 h ILE 18 N 0.40 0.97 -0.45 4.57 1.08 -1.22 -0.21 117.51 122.65 1fe6 h ILE 18 Ca 0.12 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1fe6 h ILE 18 Cb -0.01 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1fe6 h ILE 18 CO -0.05 0.05 0.21 0.40 -0.69 0.00 0.00 178.15 178.07 1fe6 h ILE 19 N -0.22 0.94 -0.49 -0.67 2.04 -0.55 -1.79 117.51 116.77 1fe6 h ILE 19 Ca -0.01 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1fe6 h ILE 19 Cb 0.19 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1fe6 h ILE 19 CO 0.02 0.08 -0.08 -0.78 0.00 0.00 0.00 178.15 177.39 1fe6 h ASP 20 N 0.42 0.86 -0.51 1.72 1.82 -0.69 -1.12 116.42 118.92 1fe6 h ASP 20 Ca 0.20 -0.26 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1fe6 h ASP 20 Cb 0.13 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.89 1fe6 h ASP 20 CO -0.16 0.97 0.15 -0.78 -1.61 0.00 0.00 179.24 177.82 1fe6 h ASP 21 N 0.79 0.75 -0.09 2.28 1.82 -0.67 -0.19 116.42 121.11 1fe6 h ASP 21 Ca 0.13 -0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 1fe6 h ASP 21 Cb 0.59 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1fe6 h ASP 21 CO 0.04 0.77 -0.35 0.03 -1.61 0.00 0.00 179.24 178.11 1fe6 h ARG 22 N 0.70 0.59 -0.05 0.28 2.47 -1.22 -1.77 114.38 115.39 1fe6 h ARG 22 Ca 0.16 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1fe6 h ARG 22 Cb 0.29 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1fe6 h ARG 22 CO -0.00 0.86 0.02 -0.92 0.56 0.00 0.00 179.97 180.48 1fe6 h TYR 23 N 0.50 0.07 -0.96 3.04 5.03 -0.88 -1.54 116.97 122.23 1fe6 h TYR 23 Ca 0.05 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1fe6 h TYR 23 Cb 0.84 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.05 1fe6 h TYR 23 CO 0.03 0.20 0.63 0.93 -1.32 0.00 0.00 178.16 178.63 1fe6 h GLU 24 N -0.08 1.21 -0.52 1.82 4.39 -0.93 0.19 114.58 120.66 1fe6 h GLU 24 Ca 0.02 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1fe6 h GLU 24 Cb 0.16 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1fe6 h GLU 24 CO -0.00 0.80 0.26 0.77 -1.16 0.00 0.00 179.01 179.68 1fe6 h SER 25 N 1.24 0.67 -0.37 1.42 0.02 -1.12 0.77 113.55 116.18 1fe6 h SER 25 Ca 0.37 -0.12 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 1fe6 h SER 25 Cb -0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1fe6 h SER 25 CO -0.10 0.60 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.73 1fe6 h LEU 26 N 0.69 0.99 -0.29 5.07 3.38 -0.77 -0.98 115.31 123.40 1fe6 h LEU 26 Ca 0.18 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1fe6 h LEU 26 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1fe6 h LEU 26 CO -0.02 1.25 0.18 0.50 0.09 0.00 0.00 178.44 180.43 1fe6 h LYS 27 N 0.76 0.35 -0.66 1.13 3.64 -0.39 0.13 116.57 121.54 1fe6 h LYS 27 Ca 0.06 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1fe6 h LYS 27 Cb 0.98 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1fe6 h LYS 27 CO 0.09 0.23 0.12 -0.91 -2.27 0.00 0.00 179.45 176.72 1fe6 h ASN 28 N 0.36 1.03 -0.16 4.20 2.35 -0.75 -1.66 115.58 120.95 1fe6 h ASN 28 Ca 0.11 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1fe6 h ASN 28 Cb -0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1fe6 h ASN 28 CO -0.04 1.01 0.03 0.25 -1.65 0.00 0.00 177.43 177.03 1fe6 h LEU 29 N 1.01 0.25 -0.69 1.61 5.85 -0.79 -0.00 115.31 122.55 1fe6 h LEU 29 Ca 0.20 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1fe6 h LEU 29 Cb 0.41 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1fe6 h LEU 29 CO 0.01 0.44 0.46 0.40 -0.34 0.00 0.00 178.44 179.40 1fe6 h ILE 30 N 0.06 1.18 -0.48 4.05 2.04 -0.88 -0.51 117.51 122.97 1fe6 h ILE 30 Ca 0.05 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1fe6 h ILE 30 Cb 0.29 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1fe6 h ILE 30 CO 0.00 0.17 0.11 0.74 0.00 0.00 0.00 178.15 179.18 1fe6 h THR 31 N 0.94 1.24 -0.29 -0.27 2.02 -1.18 -1.23 112.91 114.14 1fe6 h THR 31 Ca 0.25 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1fe6 h THR 31 Cb -0.11 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1fe6 h THR 31 CO -0.05 0.30 0.13 0.25 0.37 0.00 0.00 175.52 176.52 1fe6 h LEU 32 N 0.65 0.40 -1.00 2.58 5.85 -0.62 -0.18 115.31 122.98 1fe6 h LEU 32 Ca 0.15 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1fe6 h LEU 32 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1fe6 h LEU 32 CO 0.00 0.43 -0.30 0.03 -0.34 0.00 0.00 178.44 178.27 1fe6 h ARG 33 N 0.33 0.36 -0.24 1.25 2.47 -1.01 -0.04 114.38 117.49 1fe6 h ARG 33 Ca 0.10 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1fe6 h ARG 33 Cb 0.15 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1fe6 h ARG 33 CO -0.01 0.63 -0.07 0.00 0.56 0.00 0.00 179.97 181.08 1fe6 h ALA 34 N 1.38 0.33 -0.67 0.04 0.00 -0.99 -1.58 119.26 117.76 1fe6 h ALA 34 Ca 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1fe6 h ALA 34 Cb 0.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1fe6 h ALA 34 CO 0.05 0.14 0.31 -0.44 0.00 0.00 0.00 179.25 179.30 1fe6 h ASP 35 N 0.20 0.89 -0.33 0.00 3.32 -0.77 -1.61 116.42 118.12 1fe6 h ASP 35 Ca 0.06 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1fe6 h ASP 35 Cb 0.54 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1fe6 h ASP 35 CO 0.03 0.79 0.21 0.03 -1.72 0.00 0.00 179.24 178.58 1fe6 h ARG 36 N 0.94 0.42 -0.80 3.56 3.08 -0.90 -1.55 114.38 119.12 1fe6 h ARG 36 Ca 0.23 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1fe6 h ARG 36 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 1fe6 h ARG 36 CO -0.03 0.28 0.39 -0.07 -1.07 0.00 0.00 179.97 179.48 1fe6 h LEU 37 N 0.44 1.05 -0.51 3.04 3.38 -1.05 -0.69 115.31 120.97 1fe6 h LEU 37 Ca 0.12 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1fe6 h LEU 37 Cb -0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1fe6 h LEU 37 CO -0.03 0.89 0.22 -0.33 0.09 0.00 0.00 178.44 179.27 1fe6 h GLU 38 N 1.14 0.75 -0.45 1.13 5.08 -0.99 -0.37 114.58 120.87 1fe6 h GLU 38 Ca 0.28 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1fe6 h GLU 38 Cb 0.11 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1fe6 h GLU 38 CO -0.04 0.65 0.07 1.98 -1.00 0.00 0.00 179.01 180.68 1fe6 h MET 39 N 0.68 0.74 -0.42 2.33 4.05 -1.04 -0.45 114.93 120.82 1fe6 h MET 39 Ca 0.17 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1fe6 h MET 39 Cb 0.17 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1fe6 h MET 39 CO -0.02 0.77 0.27 0.82 0.23 0.00 0.00 176.91 178.98 1fe6 h ILE 40 N 0.61 1.12 -0.15 1.77 2.04 -0.92 0.12 117.51 122.10 1fe6 h ILE 40 Ca 0.14 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1fe6 h ILE 40 Cb 0.39 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1fe6 h ILE 40 CO 0.01 0.12 0.07 0.40 0.00 0.00 0.00 178.15 178.74 1fe6 h ILE 41 N 0.57 1.13 -0.59 -0.67 2.04 -0.90 -0.52 117.51 118.57 1fe6 h ILE 41 Ca 0.15 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1fe6 h ILE 41 Cb -0.04 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1fe6 h ILE 41 CO -0.03 0.12 0.28 0.78 0.00 0.00 0.00 178.15 179.30 1fe6 h ASN 42 N 0.11 0.77 -0.27 1.72 2.35 -0.85 -0.82 115.58 118.59 1fe6 h ASN 42 Ca 0.05 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1fe6 h ASN 42 Cb 0.13 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1fe6 h ASN 42 CO -0.01 0.68 0.06 0.44 -1.65 0.00 0.00 177.43 176.96 1fe6 h ASP 43 N 0.80 0.41 -0.49 5.81 3.32 -0.63 -2.30 116.42 123.33 1fe6 h ASP 43 Ca 0.20 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1fe6 h ASP 43 Cb 0.12 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1fe6 h ASP 43 CO -0.03 0.54 0.07 0.78 -1.72 0.00 0.00 179.24 178.88 1fe6 h ASN 44 N 0.26 0.84 -0.70 6.45 2.35 -0.97 -2.13 115.58 121.68 1fe6 h ASN 44 Ca 0.08 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1fe6 h ASN 44 Cb 0.29 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1fe6 h ASN 44 CO 0.00 0.86 0.26 0.58 -1.65 0.00 0.00 177.43 177.48 1fe6 h VAL 45 N 0.84 1.25 -0.45 2.81 2.07 -1.07 -0.52 116.25 121.19 1fe6 h VAL 45 Ca 0.17 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1fe6 h VAL 45 Cb 0.40 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1fe6 h VAL 45 CO 0.01 0.32 0.29 0.28 0.02 0.00 0.00 177.57 178.50 1fe6 h SER 46 N 1.01 0.51 -0.47 0.57 0.02 -1.09 0.77 113.55 114.88 1fe6 h SER 46 Ca 0.23 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1fe6 h SER 46 Cb 0.24 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1fe6 h SER 46 CO -0.01 0.38 0.30 0.74 -1.14 0.00 0.00 176.83 177.09 1fe6 h THR 47 N 0.60 1.09 -0.22 -2.27 2.02 -0.98 -0.19 112.91 112.97 1fe6 h THR 47 Ca 0.16 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1fe6 h THR 47 Cb -0.06 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1fe6 h THR 47 CO -0.03 0.11 0.10 0.40 0.37 0.00 0.00 175.52 176.46 1fe6 h ILE 48 N 0.61 1.15 -0.46 3.11 2.04 -0.68 -2.72 117.51 120.56 1fe6 h ILE 48 Ca 0.18 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1fe6 h ILE 48 Cb -0.04 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1fe6 h ILE 48 CO -0.06 0.15 0.25 -0.07 0.00 0.00 0.00 178.15 178.43 1fe6 h LEU 49 N 0.21 0.55 0.00 1.44 3.38 -0.58 0.50 115.31 120.82 1fe6 h LEU 49 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fe6 h LEU 49 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1fe6 h LEU 49 CO -0.01 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1fe6 n ALA 50 N -2.47 1.95 0.14 1.53 0.00 -0.11 -2.14 120.51 119.41 1fe6 n ALA 50 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1fe6 n ALA 50 Cb 0.09 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 1fe6 n ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fe6 n SER 51 N -1.36 1.95 0.00 0.00 7.64 -0.01 -5.08 113.62 116.77 1fe6 n SER 51 Ca 0.07 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1fe6 n SER 51 Cb 0.17 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 1fe6 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64