#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s SER 3 N 0.00 5.68 -0.17 0.00 0.01 -1.26 -5.11 113.70 112.85 2h1o s SER 3 Ca 0.00 -0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 2h1o s SER 3 Cb 0.00 -1.55 0.06 0.00 0.21 0.00 0.00 66.02 64.73 2h1o s SER 3 CO 0.00 0.12 0.40 -0.69 0.41 0.00 0.00 173.24 173.49 2h1o s VAL 4 N -1.56 -0.02 -0.18 3.43 1.01 -1.26 -5.15 120.40 116.67 2h1o s VAL 4 Ca 0.31 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 2h1o s VAL 4 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2h1o s VAL 4 CO 0.24 0.04 -0.01 -0.69 0.00 0.00 0.00 175.10 174.68 2h1o s VAL 5 N 1.29 4.02 -0.32 2.92 1.01 -1.26 -5.08 120.40 122.98 2h1o s VAL 5 Ca -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2h1o s VAL 5 Cb -0.08 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.54 2h1o s VAL 5 CO -0.11 0.45 0.07 -0.63 0.00 0.00 0.00 175.10 174.88 2h1o s ILE 6 N 0.72 3.60 0.39 2.22 -1.09 -1.26 -5.09 121.20 120.68 2h1o s ILE 6 Ca -0.00 -1.14 0.08 0.00 -2.23 0.00 0.00 60.65 57.35 2h1o s ILE 6 Cb -0.14 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 2h1o s ILE 6 CO 0.02 -0.13 0.27 -0.13 -1.23 0.00 0.00 174.94 173.74 2h1o s ARG 7 N 1.38 2.44 -1.46 2.79 0.52 -1.26 -4.64 118.95 118.72 2h1o s ARG 7 Ca -0.02 -1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 53.53 2h1o s ARG 7 Cb -0.19 -2.24 0.05 0.00 0.52 0.00 0.00 34.95 33.08 2h1o s ARG 7 CO 0.02 -0.08 0.73 0.09 0.02 0.00 0.00 175.30 176.08 2h1o n ASN 8 N -1.37 -2.44 -4.65 0.23 4.13 -1.26 -4.93 115.26 104.98 2h1o n ASN 8 Ca 0.00 -0.88 -0.40 0.00 1.68 0.00 0.00 54.58 54.98 2h1o n ASN 8 Cb 0.62 -3.56 -0.06 0.00 -1.54 0.00 0.00 39.78 35.24 2h1o n ASN 8 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2h1o s LEU 9 N -7.03 4.12 0.22 3.41 2.96 -1.26 -5.00 118.68 116.10 2h1o s LEU 9 Ca 0.32 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.74 2h1o s LEU 9 Cb -0.17 -2.86 -0.17 0.00 0.50 0.00 0.00 46.19 43.49 2h1o s LEU 9 CO 0.85 -0.29 0.58 -0.24 -1.32 0.00 0.00 176.35 175.93 2h1o n SER 10 N 5.20 -0.94 -0.08 3.68 2.88 -1.26 -4.79 113.62 118.30 2h1o n SER 10 Ca -0.01 1.13 -0.09 0.00 -1.33 0.00 0.00 58.87 58.56 2h1o n SER 10 Cb 0.50 -0.99 -0.02 0.00 -0.75 0.00 0.00 64.21 62.94 2h1o n SER 10 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2h1o h GLU 11 N 1.11 0.39 0.43 -1.46 4.39 -1.99 -2.38 114.58 115.08 2h1o h GLU 11 Ca -0.30 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 2h1o h GLU 11 Cb 1.43 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2h1o h GLU 11 CO 0.57 0.27 -0.21 0.00 -1.16 0.00 0.00 179.01 178.48 2h1o h ALA 12 N 1.11 -0.58 -1.03 3.43 0.00 -1.99 0.18 119.26 120.37 2h1o h ALA 12 Ca 0.11 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.14 2h1o h ALA 12 Cb -0.04 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 2h1o h ALA 12 CO -0.02 -0.81 0.67 0.00 0.00 0.00 0.00 179.25 179.09 2h1o h THR 13 N -0.62 0.54 -0.15 0.00 1.03 -1.90 0.31 112.91 112.11 2h1o h THR 13 Ca -0.06 -0.13 -0.10 0.00 -0.01 0.00 0.00 66.41 66.11 2h1o h THR 13 Cb 0.47 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 2h1o h THR 13 CO 0.10 0.07 -0.30 -0.74 -0.01 0.00 0.00 175.52 174.63 2h1o h HIS 14 N 0.39 0.59 -0.31 0.00 6.17 -0.87 -2.05 115.15 119.07 2h1o h HIS 14 Ca 0.58 -0.22 0.04 0.00 0.71 0.00 0.00 60.37 61.48 2h1o h HIS 14 Cb 1.49 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 31.28 2h1o h HIS 14 CO -0.00 0.93 0.09 -0.91 0.71 0.00 0.00 177.93 178.74 2h1o h ASN 15 N 0.08 0.07 -0.41 3.26 2.35 0.15 -0.19 115.58 120.90 2h1o h ASN 15 Ca 0.00 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2h1o h ASN 15 Cb 0.90 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.26 2h1o h ASN 15 CO 0.07 0.08 0.14 0.00 -1.65 0.00 0.00 177.43 176.06 2h1o h ALA 16 N 1.21 0.48 -0.34 -0.83 0.00 -0.57 0.46 119.26 119.67 2h1o h ALA 16 Ca 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2h1o h ALA 16 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2h1o h ALA 16 CO -0.16 -0.25 0.06 0.82 0.00 0.00 0.00 179.25 179.72 2h1o h ILE 17 N 0.30 1.23 -0.87 0.00 1.08 -1.06 -1.55 117.51 116.64 2h1o h ILE 17 Ca 0.19 -0.82 0.12 0.00 -0.39 0.00 0.00 64.86 63.96 2h1o h ILE 17 Cb 0.17 1.11 -0.08 0.00 -3.07 0.00 0.00 36.82 34.95 2h1o h ILE 17 CO -0.19 0.27 0.50 0.50 -0.69 0.00 0.00 178.15 178.54 2h1o h LYS 18 N 0.40 0.75 0.07 2.37 3.64 -0.56 -0.65 116.57 122.60 2h1o h LYS 18 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2h1o h LYS 18 Cb 0.35 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2h1o h LYS 18 CO 0.01 0.50 -0.04 0.35 -2.27 0.00 0.00 179.45 177.99 2h1o h PHE 19 N 0.77 -0.11 -0.44 1.91 3.57 -0.34 -1.89 116.94 120.40 2h1o h PHE 19 Ca 0.45 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.00 2h1o h PHE 19 Cb 0.51 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2h1o h PHE 19 CO -0.06 -0.07 0.16 0.00 -2.23 0.00 0.00 178.31 176.11 2h1o h ARG 20 N -0.12 0.32 0.54 1.11 2.47 -0.31 0.15 114.38 118.54 2h1o h ARG 20 Ca -0.01 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2h1o h ARG 20 Cb 0.10 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2h1o h ARG 20 CO 0.01 0.21 -0.40 0.00 0.56 0.00 0.00 179.97 180.35 2h1o h ALA 21 N 1.29 -0.96 -0.01 0.04 0.00 -0.99 -2.67 119.26 115.96 2h1o h ALA 21 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2h1o h ALA 21 Cb 0.20 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2h1o h ALA 21 CO -0.21 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 177.98 2h1o h ARG 22 N -0.92 0.02 0.00 0.00 2.47 -1.24 0.79 114.38 115.50 2h1o h ARG 22 Ca -0.06 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2h1o h ARG 22 Cb 0.77 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2h1o h ARG 22 CO 0.02 0.22 0.03 0.00 0.56 0.00 0.00 179.97 180.79 2h1o n ALA 23 N -2.20 1.09 -0.31 0.04 0.00 0.52 0.17 120.51 119.82 2h1o n ALA 23 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2h1o n ALA 23 Cb 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2h1o n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h1o n ALA 24 N -1.06 1.70 -2.27 0.00 0.00 -0.72 -5.00 120.51 113.16 2h1o n ALA 24 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.65 2h1o n ALA 24 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2h1o n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 25 N -0.25 0.04 3.44 0.00 0.00 0.46 -5.04 105.19 103.85 2h1o n GLY 25 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2h1o n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h1o s ARG 26 N -4.58 1.58 0.44 1.61 0.52 0.26 -4.96 118.95 113.82 2h1o s ARG 26 Ca 0.03 -1.65 -0.22 0.00 -0.52 0.00 0.00 55.73 53.37 2h1o s ARG 26 Cb -0.01 -1.74 -0.09 0.00 0.52 0.00 0.00 34.95 33.62 2h1o s ARG 26 CO 0.04 0.35 1.01 -1.54 0.02 0.00 0.00 175.30 175.18 2h1o s SER 27 N -3.14 6.67 0.22 0.23 1.04 -1.26 -3.03 113.70 114.43 2h1o s SER 27 Ca 0.25 1.89 -0.08 0.00 0.48 0.00 0.00 55.95 58.49 2h1o s SER 27 Cb -0.06 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 63.81 2h1o s SER 27 CO 0.12 -0.55 1.75 0.74 0.98 0.00 0.00 173.24 176.29 2h1o h THR 28 N 1.89 0.78 -0.57 2.02 2.02 -1.91 -0.70 112.91 116.43 2h1o h THR 28 Ca -0.49 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 66.62 2h1o h THR 28 Cb 1.21 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 2h1o h THR 28 CO 0.61 0.09 0.18 -0.08 0.37 0.00 0.00 175.52 176.69 2h1o h GLU 29 N 0.47 0.34 -0.55 6.66 4.81 -1.98 -0.69 114.58 123.63 2h1o h GLU 29 Ca 0.33 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2h1o h GLU 29 Cb 0.40 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2h1o h GLU 29 CO -0.30 0.22 0.22 0.00 -0.73 0.00 0.00 179.01 178.42 2h1o h ALA 30 N 1.41 1.35 0.47 2.92 0.00 -1.54 -1.87 119.26 122.00 2h1o h ALA 30 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2h1o h ALA 30 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2h1o h ALA 30 CO -0.32 0.49 -0.41 1.49 0.00 0.00 0.00 179.25 180.50 2h1o h GLU 31 N 0.78 -0.85 -0.84 0.00 4.57 -0.10 0.32 114.58 118.46 2h1o h GLU 31 Ca 0.19 0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.50 2h1o h GLU 31 Cb 0.16 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 2h1o h GLU 31 CO -0.02 -0.56 0.51 0.82 -1.18 0.00 0.00 179.01 178.58 2h1o h ILE 32 N -0.88 1.00 -1.00 2.32 2.04 -1.18 0.60 117.51 120.41 2h1o h ILE 32 Ca -0.05 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.54 2h1o h ILE 32 Cb 0.76 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 2h1o h ILE 32 CO -0.03 0.17 0.65 -0.09 0.00 0.00 0.00 178.15 178.85 2h1o h ARG 33 N 0.91 1.22 -0.05 2.37 2.43 -0.98 -0.20 114.38 120.07 2h1o h ARG 33 Ca 0.38 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2h1o h ARG 33 Cb 0.23 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2h1o h ARG 33 CO -0.20 0.81 -0.06 1.25 -1.51 0.00 0.00 179.97 180.27 2h1o h LEU 34 N 1.26 0.14 0.03 3.80 5.85 0.65 -1.62 115.31 125.43 2h1o h LEU 34 Ca 0.40 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2h1o h LEU 34 Cb 0.01 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2h1o h LEU 34 CO -0.13 0.61 -0.37 0.40 -0.34 0.00 0.00 178.44 178.62 2h1o h ILE 35 N -0.32 0.00 -0.90 4.05 2.04 -0.49 0.28 117.51 122.16 2h1o h ILE 35 Ca 0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.09 2h1o h ILE 35 Cb 0.57 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 2h1o h ILE 35 CO 0.01 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.71 2h1o h LEU 36 N -0.48 0.27 -0.33 1.44 4.07 -1.10 0.30 115.31 119.48 2h1o h LEU 36 Ca 0.00 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2h1o h LEU 36 Cb 0.51 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2h1o h LEU 36 CO -0.23 0.10 0.07 0.44 -1.08 0.00 0.00 178.44 177.75 2h1o h ASP 37 N 0.27 0.51 -0.77 -0.43 3.45 0.18 -2.19 116.42 117.44 2h1o h ASP 37 Ca 0.46 -0.24 -0.05 0.00 0.43 0.00 0.00 57.03 57.63 2h1o h ASP 37 Cb 1.36 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.96 2h1o h ASP 37 CO -0.13 0.62 0.28 0.78 -1.57 0.00 0.00 179.24 179.22 2h1o h ASN 38 N 0.38 1.08 -0.22 6.45 2.35 0.15 -1.45 115.58 124.31 2h1o h ASN 38 Ca 0.10 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2h1o h ASN 38 Cb 0.31 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2h1o h ASN 38 CO 0.00 0.97 0.12 0.40 -1.65 0.00 0.00 177.43 177.28 2h1o h ILE 39 N 1.12 1.02 -0.43 2.81 2.04 -1.24 -0.14 117.51 122.68 2h1o h ILE 39 Ca 0.25 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.09 2h1o h ILE 39 Cb 0.25 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2h1o h ILE 39 CO -0.02 0.05 0.11 0.00 0.00 0.00 0.00 178.15 178.29 2h1o h ALA 40 N 1.10 0.49 -0.64 1.87 0.00 -1.11 -0.93 119.26 120.04 2h1o h ALA 40 Ca 0.09 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2h1o h ALA 40 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2h1o h ALA 40 CO -0.05 -0.29 0.07 -0.22 0.00 0.00 0.00 179.25 178.77 2h1o h LYS 41 N 0.26 0.18 0.76 0.00 1.63 -0.35 -2.19 116.57 116.86 2h1o h LYS 41 Ca 0.21 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2h1o h LYS 41 Cb 0.24 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2h1o h LYS 41 CO -0.25 0.12 -0.36 0.00 -3.45 0.00 0.00 179.45 175.50 2h1o h ALA 42 N 1.56 -1.02 -0.64 5.00 0.00 -0.03 -3.04 119.26 121.09 2h1o h ALA 42 Ca 0.34 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2h1o h ALA 42 Cb 0.56 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2h1o h ALA 42 CO -0.50 -0.96 0.91 1.96 0.00 0.00 0.00 179.25 180.66 2h1o h GLN 43 N -1.25 0.00 -5.81 0.00 4.20 -0.85 -3.40 115.11 108.00 2h1o h GLN 43 Ca -0.10 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.98 2h1o h GLN 43 Cb 0.79 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.50 2h1o h GLN 43 CO 0.17 0.00 -0.32 -1.14 -0.67 0.00 0.00 178.83 176.88 2h1o s GLN 44 N -4.39 3.80 -0.38 1.46 0.74 -0.85 -5.06 119.66 114.97 2h1o s GLN 44 Ca -0.03 0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.53 2h1o s GLN 44 Cb 0.12 -3.24 0.09 0.00 1.10 0.00 0.00 33.01 31.08 2h1o s GLN 44 CO 0.40 0.66 0.15 0.99 -0.55 0.00 0.00 175.29 176.95 2h1o s THR 45 N -0.85 3.26 0.38 -0.34 2.01 -1.26 -4.96 115.64 113.88 2h1o s THR 45 Ca 0.20 -1.85 -0.25 0.00 0.31 0.00 0.00 61.69 60.09 2h1o s THR 45 Cb -0.15 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 2h1o s THR 45 CO 0.09 -0.53 1.13 -0.69 -0.69 0.00 0.00 174.62 173.93 2h1o s VAL 46 N 1.18 3.34 -1.08 3.82 1.01 -1.26 -4.99 120.40 122.42 2h1o s VAL 46 Ca 0.05 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.08 2h1o s VAL 46 Cb -0.22 -3.63 0.28 0.00 0.00 0.00 0.00 36.38 32.81 2h1o s VAL 46 CO -0.03 0.11 1.18 0.54 0.00 0.00 0.00 175.10 176.89 2h1o n ARG 47 N 0.19 3.69 -0.31 2.72 1.74 -1.26 -4.94 116.66 118.50 2h1o n ARG 47 Ca 0.04 -4.49 0.06 0.00 -0.77 0.00 0.00 57.85 52.68 2h1o n ARG 47 Cb 0.47 -2.52 0.15 0.00 -1.02 0.00 0.00 32.46 29.53 2h1o n ARG 47 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2h1o h LEU 48 N 6.24 -0.69 0.55 0.55 5.85 -1.99 0.14 115.31 125.96 2h1o h LEU 48 Ca 0.18 0.25 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 2h1o h LEU 48 Cb 0.80 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2h1o h LEU 48 CO 1.08 -0.28 -0.35 1.23 -0.34 0.00 0.00 178.44 179.78 2h1o h GLY 49 N 0.02 -1.05 1.49 3.75 0.00 -2.01 -2.95 103.07 102.31 2h1o h GLY 49 Ca 0.45 0.44 0.03 0.00 0.00 0.00 0.00 47.33 48.24 2h1o h GLY 49 CO -0.87 -0.35 0.28 1.76 0.00 0.00 0.00 176.54 177.36 2h1o h SER 50 N -0.85 0.38 -0.03 0.19 0.02 -1.88 -2.61 113.55 108.77 2h1o h SER 50 Ca -0.07 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2h1o h SER 50 Cb 0.68 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2h1o h SER 50 CO 0.06 0.26 -0.27 -0.03 -1.14 0.00 0.00 176.83 175.72 2h1o h MET 51 N 0.44 -0.38 0.48 3.45 -1.53 -0.61 -2.31 114.93 114.48 2h1o h MET 51 Ca 0.17 0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.43 2h1o h MET 51 Cb 0.12 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 2h1o h MET 51 CO -0.04 -0.25 -0.23 -0.07 0.14 0.00 0.00 176.91 176.46 2h1o h LEU 52 N -0.39 -0.55 -1.11 3.39 3.38 -1.35 -2.86 115.31 115.82 2h1o h LEU 52 Ca 0.07 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2h1o h LEU 52 Cb 0.49 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2h1o h LEU 52 CO -0.25 -0.14 0.71 0.00 0.09 0.00 0.00 178.44 178.84 2h1o h ALA 53 N -0.91 1.86 0.04 1.53 0.00 -1.50 0.51 119.26 120.79 2h1o h ALA 53 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2h1o h ALA 53 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2h1o h ALA 53 CO 0.11 -0.79 -0.02 1.03 0.00 0.00 0.00 179.25 179.58 2h1o h SER 54 N 0.00 -0.04 -0.51 0.00 0.87 -1.34 -2.27 113.55 110.26 2h1o h SER 54 Ca 0.08 -0.04 0.15 0.00 -1.23 0.00 0.00 61.79 60.75 2h1o h SER 54 Cb 1.49 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.44 2h1o h SER 54 CO -0.00 0.47 0.52 0.40 -0.53 0.00 0.00 176.83 177.69 2h1o h ILE 55 N -1.01 0.38 0.22 2.23 2.04 0.02 0.23 117.51 121.62 2h1o h ILE 55 Ca -0.00 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.53 2h1o h ILE 55 Cb 0.08 0.60 0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2h1o h ILE 55 CO 0.01 0.00 -1.52 1.23 0.00 0.00 0.00 178.15 177.87 2h1o h GLY 56 N 0.00 0.53 2.00 5.37 0.00 -0.39 -2.98 103.07 107.60 2h1o h GLY 56 Ca 0.24 -1.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.15 2h1o h GLY 56 CO -0.00 1.20 -0.29 1.46 0.00 0.00 0.00 176.54 178.90 2h1o h GLN 57 N 0.07 0.00 -0.27 4.80 1.08 -0.28 1.78 115.11 122.29 2h1o h GLN 57 Ca -0.28 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.74 2h1o h GLN 57 Cb 2.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.52 2h1o h GLN 57 CO 0.23 0.29 -0.54 1.49 -0.95 0.00 0.00 178.83 179.35 2h1o h GLU 58 N 0.00 0.82 -0.88 1.46 4.81 -0.71 -3.23 114.58 116.85 2h1o h GLU 58 Ca -0.00 -0.51 -0.41 0.00 -0.13 0.00 0.00 59.36 58.31 2h1o h GLU 58 Cb 0.67 0.06 -0.24 0.00 0.63 0.00 0.00 28.75 29.86 2h1o h GLU 58 CO 0.04 1.14 0.50 0.44 -0.73 0.00 0.00 179.01 180.40 2h1o n ILE 59 N -4.00 3.09 -1.16 2.32 -5.35 -1.08 -4.88 119.36 108.30 2h1o n ILE 59 Ca -0.04 -1.89 -0.06 0.00 -0.27 0.00 0.00 62.75 60.49 2h1o n ILE 59 Cb 0.62 -0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 38.07 2h1o n ILE 59 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h1o n GLY 60 N -0.86 0.70 0.74 3.28 0.00 -1.09 -4.72 105.19 103.24 2h1o n GLY 60 Ca 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.39 2h1o n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h1o n GLY 61 N -0.83 -3.34 1.90 -0.02 0.00 0.60 -4.97 105.19 98.53 2h1o n GLY 61 Ca -0.06 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2h1o n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2h1o n VAL 62 N -2.23 0.00 -3.37 1.61 0.24 -1.26 -5.05 118.33 108.27 2h1o n VAL 62 Ca -0.01 -1.16 -0.16 0.00 -2.04 0.00 0.00 64.34 60.97 2h1o n VAL 62 Cb 0.25 0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 33.19 2h1o n VAL 62 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2h1o s GLU 63 N -2.57 0.54 -0.02 7.34 2.56 -1.26 -5.02 118.70 120.27 2h1o s GLU 63 Ca 0.19 -0.61 0.01 0.00 0.00 0.00 0.00 54.97 54.55 2h1o s GLU 63 Cb 0.00 -0.68 0.05 0.00 2.00 0.00 0.00 34.13 35.50 2h1o s GLU 63 CO 0.13 -1.14 0.87 1.28 -0.56 0.00 0.00 175.26 175.84 2h1o n LEU 64 N 4.59 2.46 0.00 2.70 4.32 -1.26 -5.37 117.00 124.45 2h1o n LEU 64 Ca 0.07 -1.24 0.00 0.00 -0.02 0.00 0.00 56.01 54.82 2h1o n LEU 64 Cb 0.46 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2h1o n LEU 64 CO 0.06 0.43 0.00 1.21 -1.22 0.00 0.00 177.39 177.87