#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2m n SER 2 N 0.00 -0.81 -3.63 1.61 3.41 -1.26 -4.84 113.62 108.09 1x2m n SER 2 Ca 0.00 -0.94 -0.02 0.00 -0.26 0.00 0.00 58.87 57.65 1x2m n SER 2 Cb 0.00 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 62.71 1x2m n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x2m s SER 3 N -3.03 -1.05 0.00 4.04 1.04 -1.26 -5.02 113.70 108.42 1x2m s SER 3 Ca 0.46 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1x2m s SER 3 Cb -0.27 2.01 0.00 0.00 0.10 0.00 0.00 66.02 67.86 1x2m s SER 3 CO 0.76 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.37 1x2m n GLY 4 N 5.10 0.46 2.82 7.32 0.00 -1.26 -5.06 105.19 114.57 1x2m n GLY 4 Ca -0.14 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x2m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2m s SER 5 N 0.00 4.01 -0.00 1.61 1.04 -1.26 -5.08 113.70 114.01 1x2m s SER 5 Ca 0.00 -3.02 -0.04 0.00 0.48 0.00 0.00 55.95 53.38 1x2m s SER 5 Cb 0.00 -1.35 -0.00 0.00 0.10 0.00 0.00 66.02 64.77 1x2m s SER 5 CO 0.00 -0.22 0.06 -0.55 0.98 0.00 0.00 173.24 173.52 1x2m s SER 6 N -0.24 0.07 0.00 7.02 0.15 -1.26 -4.96 113.70 114.48 1x2m s SER 6 Ca 0.19 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x2m s SER 6 Cb -0.20 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1x2m s SER 6 CO -0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x2m n GLY 7 N 1.95 5.08 0.31 9.45 0.00 -1.26 -5.08 105.19 115.64 1x2m n GLY 7 Ca -0.20 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1x2m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x2m n THR 8 N 0.00 0.64 -0.52 2.61 -1.04 -1.26 -4.68 114.28 110.03 1x2m n THR 8 Ca 0.00 -0.21 0.07 0.00 -2.04 0.00 0.00 64.05 61.88 1x2m n THR 8 Cb 0.00 -1.23 0.22 0.00 -1.82 0.00 0.00 70.33 67.50 1x2m n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x2m n ALA 9 N -3.13 2.59 -1.12 2.41 0.00 -1.26 -4.59 120.51 115.40 1x2m n ALA 9 Ca -0.21 -1.60 -0.34 0.00 0.00 0.00 0.00 53.44 51.29 1x2m n ALA 9 Cb 0.69 -0.62 0.12 0.00 0.00 0.00 0.00 19.45 19.63 1x2m n ALA 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x2m n GLN 10 N 0.29 0.18 0.14 0.00 1.13 -1.26 -4.89 117.38 112.97 1x2m n GLN 10 Ca 0.17 0.13 -0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1x2m n GLN 10 Cb 0.66 -2.29 0.25 0.00 0.11 0.00 0.00 30.24 28.96 1x2m n GLN 10 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1x2m h PRO 11 N -0.85 0.07 0.02 -1.09 0.13 -1.95 -3.09 132.00 125.23 1x2m h PRO 11 Ca -0.46 -0.04 -0.36 0.00 -0.87 0.00 0.00 66.00 64.27 1x2m h PRO 11 Cb 1.31 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.39 1x2m h PRO 11 CO 0.44 0.54 -2.03 0.09 -0.23 0.00 0.00 178.00 176.81 1x2m n ASN 12 N -3.97 1.95 -0.23 1.44 5.03 -1.26 -4.11 115.26 114.11 1x2m n ASN 12 Ca -0.02 0.28 -0.13 0.00 0.87 0.00 0.00 54.58 55.59 1x2m n ASN 12 Cb 0.51 -0.82 -0.10 0.00 -1.02 0.00 0.00 39.78 38.35 1x2m n ASN 12 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x2m h ALA 13 N -0.55 -0.71 -0.05 5.41 0.00 -1.91 -0.72 119.26 120.73 1x2m h ALA 13 Ca -0.53 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1x2m h ALA 13 Cb 1.61 1.21 -0.06 0.00 0.00 0.00 0.00 17.79 20.55 1x2m h ALA 13 CO -0.24 -1.03 -0.53 0.82 0.00 0.00 0.00 179.25 178.27 1x2m h ILE 14 N -0.27 0.00 -1.05 0.00 2.04 -1.77 -0.31 117.51 116.14 1x2m h ILE 14 Ca 0.10 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.30 1x2m h ILE 14 Cb 0.54 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.47 1x2m h ILE 14 CO -0.71 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 177.99 1x2m h LEU 15 N -0.63 0.46 -1.44 1.44 3.38 -1.52 1.04 115.31 118.03 1x2m h LEU 15 Ca 0.02 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1x2m h LEU 15 Cb 0.70 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1x2m h LEU 15 CO -0.38 -0.14 0.36 -0.08 0.09 0.00 0.00 178.44 178.29 1x2m h GLU 16 N 0.28 0.73 0.29 1.13 4.81 0.42 -1.61 114.58 120.63 1x2m h GLU 16 Ca 0.74 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.91 1x2m h GLU 16 Cb 1.82 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.04 1x2m h GLU 16 CO -0.56 0.49 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.86 1x2m h LYS 17 N 0.75 -0.37 0.00 1.92 3.64 0.14 -2.87 116.57 119.78 1x2m h LYS 17 Ca 0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1x2m h LYS 17 Cb -0.07 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1x2m h LYS 17 CO -0.04 -0.02 0.00 0.28 -2.27 0.00 0.00 179.45 177.39 1x2m n VAL 18 N -5.07 1.35 -0.05 2.00 0.31 -0.94 0.11 118.33 116.03 1x2m n VAL 18 Ca -0.09 0.34 -0.01 0.00 -0.01 0.00 0.00 64.34 64.56 1x2m n VAL 18 Cb 0.27 -1.27 -0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1x2m n VAL 18 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1x2m h PHE 19 N 0.00 0.00 0.00 3.52 3.57 -1.10 -1.30 116.94 121.63 1x2m h PHE 19 Ca 0.00 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.11 1x2m h PHE 19 Cb 0.05 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 1x2m h PHE 19 CO 0.00 0.00 -2.48 -2.37 -2.23 0.00 0.00 178.31 171.23 1x2m n THR 20 N -4.39 1.49 0.24 4.41 5.66 -1.10 -0.20 114.28 120.39 1x2m n THR 20 Ca -0.02 -0.56 0.08 0.00 -3.05 0.00 0.00 64.05 60.50 1x2m n THR 20 Cb 0.09 -1.44 0.61 0.00 -1.55 0.00 0.00 70.33 68.04 1x2m n THR 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x2m h ALA 21 N -0.04 1.65 0.00 1.79 0.00 0.57 -3.38 119.26 119.84 1x2m h ALA 21 Ca -0.59 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x2m h ALA 21 Cb 1.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1x2m h ALA 21 CO -0.11 0.16 -0.04 -0.89 0.00 0.00 0.00 179.25 178.37 1x2m n ILE 22 N -4.18 0.23 -3.62 0.00 2.08 -0.49 -4.94 119.36 108.45 1x2m n ILE 22 Ca -0.02 0.15 -0.08 0.00 0.56 0.00 0.00 62.75 63.36 1x2m n ILE 22 Cb 0.20 -1.23 -0.06 0.00 -0.75 0.00 0.00 39.64 37.81 1x2m n ILE 22 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1x2m s THR 23 N -1.21 0.00 0.26 1.39 -1.32 -0.49 -4.97 115.64 109.30 1x2m s THR 23 Ca -0.01 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.51 1x2m s THR 23 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1x2m s THR 23 CO 0.02 0.00 1.64 0.11 -2.21 0.00 0.00 174.62 174.17 1x2m h LYS 24 N 3.00 0.31 -3.30 7.08 1.79 -0.79 -3.29 116.57 121.37 1x2m h LYS 24 Ca -0.20 -0.17 -0.69 0.00 -2.18 0.00 0.00 60.65 57.40 1x2m h LYS 24 Cb 1.18 0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 31.47 1x2m h LYS 24 CO 0.22 0.72 -0.17 -1.01 -1.08 0.00 0.00 179.45 178.13 1x2m s HIS 25 N -4.06 3.83 0.33 -1.35 3.76 -1.26 -4.95 115.29 111.60 1x2m s HIS 25 Ca -0.05 -3.06 -0.28 0.00 -0.15 0.00 0.00 55.06 51.52 1x2m s HIS 25 Cb 0.13 -3.17 -0.10 0.00 1.11 0.00 0.00 32.58 30.55 1x2m s HIS 25 CO 0.79 -0.72 1.22 -1.25 -0.85 0.00 0.00 174.74 173.93 1x2m s PRO 26 N -1.30 4.37 0.94 8.40 0.04 -1.26 -5.03 135.00 141.16 1x2m s PRO 26 Ca 0.27 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 1x2m s PRO 26 Cb -0.08 -3.02 0.15 0.00 0.04 0.00 0.00 34.50 31.60 1x2m s PRO 26 CO -0.13 -0.10 1.14 0.34 0.04 0.00 0.00 177.00 178.29 1x2m s ASP 27 N -0.73 3.27 0.12 6.66 2.15 -1.26 -4.82 116.67 122.05 1x2m s ASP 27 Ca 0.49 0.92 -0.23 0.00 0.43 0.00 0.00 52.55 54.16 1x2m s ASP 27 Cb -0.36 -1.46 -0.07 0.00 -0.30 0.00 0.00 42.92 40.74 1x2m s ASP 27 CO 0.47 -2.70 1.68 1.05 -0.17 0.00 0.00 175.17 175.50 1x2m h GLU 28 N -1.60 -0.21 -0.84 4.34 4.11 -1.99 -2.15 114.58 116.25 1x2m h GLU 28 Ca -0.50 0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.05 1x2m h GLU 28 Cb 1.33 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.54 1x2m h GLU 28 CO 0.59 -0.14 0.47 0.87 0.07 0.00 0.00 179.01 180.88 1x2m h LYS 29 N -0.22 0.74 0.41 1.06 1.79 -2.01 -2.09 116.57 116.27 1x2m h LYS 29 Ca 0.06 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1x2m h LYS 29 Cb 0.29 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1x2m h LYS 29 CO -0.15 0.49 -0.43 -0.09 -1.08 0.00 0.00 179.45 178.19 1x2m h ARG 30 N 0.76 -0.83 -0.82 3.15 2.43 -1.76 -2.47 114.38 114.84 1x2m h ARG 30 Ca 0.42 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.81 1x2m h ARG 30 Cb 0.45 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.08 1x2m h ARG 30 CO -0.28 -0.55 0.37 -0.07 -1.51 0.00 0.00 179.97 177.93 1x2m h LEU 31 N -0.86 0.38 -0.80 3.80 3.38 -1.01 -2.47 115.31 117.73 1x2m h LEU 31 Ca -0.04 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1x2m h LEU 31 Cb 0.76 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1x2m h LEU 31 CO -0.07 0.12 -0.47 1.21 0.09 0.00 0.00 178.44 179.32 1x2m n GLU 32 N -4.96 -0.35 -0.32 1.13 0.00 -0.82 0.47 120.64 115.78 1x2m n GLU 32 Ca 0.17 1.35 0.18 0.00 0.00 0.00 0.00 57.16 58.85 1x2m n GLU 32 Cb 0.47 -1.98 0.36 0.00 0.00 0.00 0.00 31.44 30.30 1x2m n GLU 32 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1x2m h GLY 33 N 0.00 1.58 1.26 8.31 0.00 -1.44 0.68 103.07 113.46 1x2m h GLY 33 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1x2m h GLY 33 CO -0.75 -0.50 0.05 1.41 0.00 0.00 0.00 176.54 176.75 1x2m h LEU 34 N 0.14 0.86 -1.71 3.11 3.38 -0.07 -2.86 115.31 118.16 1x2m h LEU 34 Ca 0.64 -0.20 0.52 0.00 0.09 0.00 0.00 57.88 58.92 1x2m h LEU 34 Cb 1.41 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 1x2m h LEU 34 CO -0.74 0.89 1.21 -0.24 0.09 0.00 0.00 178.44 179.65 1x2m n SER 35 N -4.22 0.05 -0.04 -0.43 2.88 0.24 0.22 113.62 112.32 1x2m n SER 35 Ca 0.03 1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 58.55 1x2m n SER 35 Cb 0.29 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 1x2m n SER 35 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1x2m h LYS 36 N 0.00 -0.04 0.25 -1.46 3.64 -1.57 0.68 116.57 118.07 1x2m h LYS 36 Ca 0.87 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.25 1x2m h LYS 36 Cb 3.33 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 35.15 1x2m h LYS 36 CO -0.13 0.35 -0.18 1.96 -2.27 0.00 0.00 179.45 179.18 1x2m h GLN 37 N -0.99 -0.41 -0.01 1.90 1.08 -0.35 -2.76 115.11 113.56 1x2m h GLN 37 Ca -0.00 0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.09 1x2m h GLN 37 Cb 0.40 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1x2m h GLN 37 CO 0.01 -0.28 -0.62 -0.07 -0.95 0.00 0.00 178.83 176.92 1x2m h LEU 38 N -0.43 0.05 0.73 1.46 3.38 -0.41 -3.46 115.31 116.63 1x2m h LEU 38 Ca -0.02 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1x2m h LEU 38 Cb 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1x2m h LEU 38 CO 0.00 0.65 -0.16 0.47 0.09 0.00 0.00 178.44 179.50 1x2m n ASP 39 N -3.81 -3.06 -4.67 -0.43 8.00 0.20 -5.02 116.55 107.76 1x2m n ASP 39 Ca -0.01 0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.29 1x2m n ASP 39 Cb 0.62 -1.94 -0.08 0.00 -0.02 0.00 0.00 41.12 39.70 1x2m n ASP 39 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x2m s TRP 40 N -2.31 2.57 0.41 1.24 0.51 -1.04 -4.99 118.94 115.34 1x2m s TRP 40 Ca 0.00 -0.52 -0.24 0.00 -2.12 0.00 0.00 56.10 53.22 1x2m s TRP 40 Cb 0.00 -1.70 -0.08 0.00 -0.81 0.00 0.00 33.47 30.88 1x2m s TRP 40 CO 0.00 0.37 1.10 -0.51 -0.51 0.00 0.00 176.95 177.40 1x2m s ASP 41 N -3.79 6.58 0.55 2.95 1.01 -1.26 -4.41 116.67 118.29 1x2m s ASP 41 Ca 0.37 2.16 0.45 0.00 0.71 0.00 0.00 52.55 56.24 1x2m s ASP 41 Cb 0.03 -2.60 1.66 0.00 1.01 0.00 0.00 42.92 43.02 1x2m s ASP 41 CO 0.20 -0.63 1.66 0.58 0.21 0.00 0.00 175.17 177.19 1x2m h VAL 42 N 2.15 0.15 0.03 -1.27 2.07 -1.94 1.52 116.25 118.96 1x2m h VAL 42 Ca -0.49 -0.00 -0.28 0.00 0.82 0.00 0.00 66.70 66.75 1x2m h VAL 42 Cb 1.23 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1x2m h VAL 42 CO 0.62 0.00 -1.49 0.03 0.02 0.00 0.00 177.57 176.75 1x2m h ARG 43 N 0.01 0.07 0.00 1.57 2.47 -1.99 -3.32 114.38 113.19 1x2m h ARG 43 Ca 0.81 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 59.38 1x2m h ARG 43 Cb 3.19 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 31.56 1x2m h ARG 43 CO -0.04 0.82 -0.11 0.77 0.56 0.00 0.00 179.97 181.97 1x2m h SER 44 N 0.02 0.00 0.15 7.04 0.02 0.18 -2.98 113.55 117.98 1x2m h SER 44 Ca -0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1x2m h SER 44 Cb 1.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1x2m h SER 44 CO 0.11 0.11 -0.07 0.40 -1.14 0.00 0.00 176.83 176.24 1x2m h ILE 45 N 0.00 0.89 -0.99 3.27 2.04 -1.45 -3.26 117.51 118.01 1x2m h ILE 45 Ca -0.00 -1.15 0.34 0.00 1.00 0.00 0.00 64.86 65.06 1x2m h ILE 45 Cb 0.26 1.50 -0.16 0.00 -0.74 0.00 0.00 36.82 37.68 1x2m h ILE 45 CO 0.01 0.23 0.52 1.56 0.00 0.00 0.00 178.15 180.47 1x2m h GLN 46 N -0.84 0.20 -0.85 2.37 4.20 -1.63 0.52 115.11 119.08 1x2m h GLN 46 Ca -0.02 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.87 1x2m h GLN 46 Cb 0.53 -0.05 -0.12 0.00 0.30 0.00 0.00 27.48 28.15 1x2m h GLN 46 CO 0.03 0.13 0.35 0.00 -0.67 0.00 0.00 178.83 178.68 1x2m h ARG 47 N 0.21 0.40 -0.10 1.46 3.08 -1.58 0.19 114.38 118.03 1x2m h ARG 47 Ca 0.75 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.74 1x2m h ARG 47 Cb 1.79 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 1x2m h ARG 47 CO -0.67 0.26 -0.10 2.35 -1.07 0.00 0.00 179.97 180.74 1x2m h TRP 48 N 0.41 0.29 0.30 3.04 7.01 -0.10 -2.57 115.95 124.33 1x2m h TRP 48 Ca 0.51 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 61.43 1x2m h TRP 48 Cb 0.91 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 1x2m h TRP 48 CO -0.16 0.67 -0.34 0.74 -2.79 0.00 0.00 178.44 176.56 1x2m h PHE 49 N -0.17 -0.91 -0.71 2.65 0.04 -0.92 -0.76 116.94 116.17 1x2m h PHE 49 Ca 0.02 0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.94 1x2m h PHE 49 Cb 0.62 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 1x2m h PHE 49 CO 0.09 -0.47 0.48 0.07 -0.60 0.00 0.00 178.31 177.88 1x2m h ARG 50 N -0.68 0.36 -0.37 1.51 0.11 -0.76 0.12 114.38 114.67 1x2m h ARG 50 Ca -0.01 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 59.91 1x2m h ARG 50 Cb 0.63 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 1x2m h ARG 50 CO -0.08 0.24 -0.31 1.96 0.10 0.00 0.00 179.97 181.87 1x2m h GLN 51 N 0.37 0.82 0.17 0.08 4.20 -0.89 -2.97 115.11 116.88 1x2m h GLN 51 Ca 0.34 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1x2m h GLN 51 Cb 0.83 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1x2m h GLN 51 CO -0.10 1.02 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.91 1x2m h ARG 52 N 0.69 -0.21 -0.70 1.46 9.65 0.41 -3.23 114.38 122.44 1x2m h ARG 52 Ca 0.07 0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.12 1x2m h ARG 52 Cb 0.86 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 29.36 1x2m h ARG 52 CO 0.08 0.15 -0.11 0.00 2.80 0.00 0.00 179.97 182.89 1x2m h ARG 53 N -0.63 0.03 -0.65 0.20 3.08 -1.30 -0.41 114.38 114.70 1x2m h ARG 53 Ca -0.02 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.14 1x2m h ARG 53 Cb 0.47 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.39 1x2m h ARG 53 CO 0.04 0.02 -0.29 -0.97 -1.07 0.00 0.00 179.97 177.70 1x2m h ASN 54 N 0.04 -1.03 -0.74 7.04 -0.73 -1.53 0.14 115.58 118.77 1x2m h ASN 54 Ca 0.36 0.23 0.07 0.00 1.87 0.00 0.00 56.30 58.83 1x2m h ASN 54 Cb 0.57 0.55 -0.06 0.00 0.27 0.00 0.00 38.32 39.65 1x2m h ASN 54 CO -0.69 -0.28 0.41 1.56 -0.37 0.00 0.00 177.43 178.06 1x2m h GLN 55 N -0.11 0.72 -5.23 6.67 1.08 -1.13 -3.41 115.11 113.70 1x2m h GLN 55 Ca 0.27 -0.04 -0.60 0.00 -1.45 0.00 0.00 58.65 56.83 1x2m h GLN 55 Cb 0.55 -0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1x2m h GLN 55 CO -0.71 0.47 1.50 -1.91 -0.95 0.00 0.00 178.83 177.23 1x2m n GLU 56 N -4.76 0.00 -4.57 1.46 0.00 0.50 -4.89 120.64 108.38 1x2m n GLU 56 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.92 1x2m n GLU 56 Cb 0.21 -1.44 -0.11 0.00 0.00 0.00 0.00 31.44 30.10 1x2m n GLU 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1x2m s LYS 57 N 7.37 2.78 0.17 5.31 2.20 -1.26 -5.03 119.74 131.28 1x2m s LYS 57 Ca 1.24 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 1x2m s LYS 57 Cb -1.31 -2.62 -0.08 0.00 -1.51 0.00 0.00 37.83 32.30 1x2m s LYS 57 CO 0.54 0.67 1.32 -1.25 -0.36 0.00 0.00 175.35 176.28 1x2m s PRO 58 N -0.86 4.37 0.53 4.03 0.04 -1.26 -4.96 135.00 136.89 1x2m s PRO 58 Ca 0.13 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 63.02 1x2m s PRO 58 Cb -0.11 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 1x2m s PRO 58 CO 0.02 -0.30 0.54 0.45 0.04 0.00 0.00 177.00 177.75 1x2m n SER 59 N 3.04 -0.94 -0.16 6.66 2.88 -1.26 -5.00 113.62 118.84 1x2m n SER 59 Ca 0.08 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1x2m n SER 59 Cb 0.43 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1x2m n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2m n GLY 60 N 1.77 4.74 3.55 0.46 0.00 -1.26 -5.08 105.19 109.37 1x2m n GLY 60 Ca 0.11 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1x2m n GLY 60 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2m s PRO 61 N 0.51 2.59 -0.06 1.61 0.04 -1.26 -4.93 135.00 133.50 1x2m s PRO 61 Ca 0.00 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.97 1x2m s PRO 61 Cb 0.00 -4.68 -0.08 0.00 0.04 0.00 0.00 34.50 29.78 1x2m s PRO 61 CO 0.00 -3.01 2.04 0.43 0.04 0.00 0.00 177.00 176.50 1x2m n SER 62 N 13.29 3.78 -4.67 6.66 7.64 -1.26 -4.91 113.62 134.15 1x2m n SER 62 Ca 0.29 0.70 -0.43 0.00 1.01 0.00 0.00 58.87 60.44 1x2m n SER 62 Cb 0.50 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.16 1x2m n SER 62 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2m s SER 63 N 5.60 6.93 0.00 6.43 0.01 -1.26 -5.34 113.70 126.06 1x2m s SER 63 Ca 0.93 1.83 0.24 0.00 1.31 0.00 0.00 55.95 60.27 1x2m s SER 63 Cb -0.45 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 63.46 1x2m s SER 63 CO 0.42 -0.73 1.28 0.61 0.41 0.00 0.00 173.24 175.22