#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pra h ILE 2 N 0.00 0.63 -0.19 0.44 5.03 -1.90 -1.03 117.51 120.50 1pra h ILE 2 Ca 0.00 -0.04 0.02 0.00 -0.12 0.00 0.00 64.86 64.72 1pra h ILE 2 Cb 0.00 0.50 -0.03 0.00 -3.03 0.00 0.00 36.82 34.26 1pra h ILE 2 CO 0.00 0.02 -0.20 -1.28 -0.68 0.00 0.00 178.15 176.01 1pra h SER 3 N 0.11 -0.68 -0.83 1.72 0.87 -1.69 0.19 113.55 113.24 1pra h SER 3 Ca 0.40 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 61.04 1pra h SER 3 Cb 1.41 0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 63.62 1pra h SER 3 CO -0.05 -0.13 0.46 -1.28 -0.53 0.00 0.00 176.83 175.30 1pra h SER 4 N -0.11 1.03 0.49 6.23 0.87 -1.55 0.11 113.55 120.62 1pra h SER 4 Ca 0.03 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1pra h SER 4 Cb 0.20 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1pra h SER 4 CO -0.24 0.83 -0.29 0.03 -0.53 0.00 0.00 176.83 176.63 1pra h ARG 5 N 1.15 -0.70 0.02 2.24 3.08 -0.77 0.17 114.38 119.57 1pra h ARG 5 Ca 0.29 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.42 1pra h ARG 5 Cb 0.02 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1pra h ARG 5 CO -0.05 -0.47 -0.44 0.28 -1.07 0.00 0.00 179.97 178.22 1pra h VAL 6 N -0.73 0.12 0.63 2.04 2.07 -0.60 -1.44 116.25 118.34 1pra h VAL 6 Ca -0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1pra h VAL 6 Cb 0.58 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pra h VAL 6 CO 0.07 0.00 -0.44 0.50 0.02 0.00 0.00 177.57 177.73 1pra h LYS 7 N -0.61 -0.99 -0.49 1.57 3.64 -0.77 -0.11 116.57 118.82 1pra h LYS 7 Ca 0.04 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1pra h LYS 7 Cb 0.67 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 1pra h LYS 7 CO -0.32 -0.66 0.04 0.77 -2.27 0.00 0.00 179.45 177.02 1pra h SER 8 N -1.02 -0.12 -0.85 4.20 0.02 -0.59 0.87 113.55 116.05 1pra h SER 8 Ca -0.08 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1pra h SER 8 Cb 0.84 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1pra h SER 8 CO 0.05 -0.03 0.51 0.50 -1.14 0.00 0.00 176.83 176.72 1pra h LYS 9 N 0.16 1.16 -0.37 3.45 3.11 -1.11 -0.69 116.57 122.27 1pra h LYS 9 Ca 0.24 -0.11 0.07 0.00 -2.81 0.00 0.00 60.65 58.05 1pra h LYS 9 Cb 0.35 -0.24 -0.07 0.00 -1.00 0.00 0.00 32.23 31.27 1pra h LYS 9 CO -0.37 0.82 -0.08 -0.09 -2.81 0.00 0.00 179.45 176.92 1pra h ARG 10 N 1.17 0.02 0.22 1.90 2.43 0.10 0.14 114.38 120.37 1pra h ARG 10 Ca 0.31 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1pra h ARG 10 Cb -0.04 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1pra h ARG 10 CO -0.06 0.01 -0.23 0.82 -1.51 0.00 0.00 179.97 179.01 1pra h ILE 11 N 0.02 0.51 -0.94 1.20 5.03 -0.40 0.31 117.51 123.24 1pra h ILE 11 Ca 0.18 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 65.05 1pra h ILE 11 Cb 0.27 0.51 -0.09 0.00 -3.03 0.00 0.00 36.82 34.48 1pra h ILE 11 CO -0.37 0.00 0.55 1.56 -0.68 0.00 0.00 178.15 179.21 1pra h GLN 12 N -0.48 0.81 0.00 2.37 4.20 -0.64 0.21 115.11 121.59 1pra h GLN 12 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1pra h GLN 12 Cb 0.45 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1pra h GLN 12 CO -0.06 0.53 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.24 1pra h LEU 13 N 0.83 0.00 -0.29 1.46 -0.00 -0.27 -3.47 115.31 113.57 1pra h LEU 13 Ca 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.32 1pra h LEU 13 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.24 1pra h LEU 13 CO -0.30 0.33 -0.06 0.61 -0.00 0.00 0.00 178.44 179.01 1pra n GLY 14 N -0.53 0.53 3.50 0.83 0.00 0.10 -5.07 105.19 104.55 1pra n GLY 14 Ca -0.02 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1pra n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pra s LEU 15 N -1.08 2.64 0.37 0.99 1.43 -0.79 -5.02 118.68 117.22 1pra s LEU 15 Ca 0.03 -1.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.02 1pra s LEU 15 Cb -0.01 -0.89 -0.00 0.00 0.03 0.00 0.00 46.19 45.32 1pra s LEU 15 CO 0.03 -0.23 0.51 0.54 0.23 0.00 0.00 176.35 177.44 1pra s ASN 16 N -3.54 5.85 0.26 2.29 2.20 -1.26 -4.44 114.94 116.29 1pra s ASN 16 Ca 0.31 -0.28 -0.02 0.00 -0.94 0.00 0.00 52.86 51.93 1pra s ASN 16 Cb 0.02 -1.01 0.52 0.00 -2.00 0.00 0.00 41.25 38.79 1pra s ASN 16 CO 0.15 -0.57 1.71 1.56 -2.94 0.00 0.00 177.10 177.01 1pra h GLN 17 N 0.79 0.38 -0.19 3.55 4.20 -1.98 -0.23 115.11 121.62 1pra h GLN 17 Ca -0.43 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1pra h GLN 17 Cb 1.27 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1pra h GLN 17 CO 0.50 0.25 0.02 0.00 -0.67 0.00 0.00 178.83 178.93 1pra h ALA 18 N 1.60 0.26 -0.15 3.87 0.00 -1.95 0.12 119.26 123.01 1pra h ALA 18 Ca 0.45 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1pra h ALA 18 Cb 0.75 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1pra h ALA 18 CO -0.46 -0.05 -0.16 0.93 0.00 0.00 0.00 179.25 179.50 1pra h GLU 19 N 0.10 -0.18 -0.65 0.00 5.08 -1.83 0.45 114.58 117.55 1pra h GLU 19 Ca 0.06 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1pra h GLU 19 Cb 0.35 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1pra h GLU 19 CO 0.01 -0.12 0.37 1.25 -1.00 0.00 0.00 179.01 179.51 1pra h LEU 20 N -0.19 0.55 -0.67 1.33 6.46 -0.84 0.13 115.31 122.08 1pra h LEU 20 Ca 0.10 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1pra h LEU 20 Cb 0.34 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 1pra h LEU 20 CO -0.26 0.36 0.37 0.00 -0.62 0.00 0.00 178.44 178.28 1pra h ALA 21 N 1.34 0.91 -0.25 1.25 0.00 -0.00 0.13 119.26 122.62 1pra h ALA 21 Ca 0.29 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1pra h ALA 21 Cb 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pra h ALA 21 CO -0.17 0.03 0.13 1.96 0.00 0.00 0.00 179.25 181.20 1pra h GLN 22 N 0.67 0.27 -0.93 0.00 4.20 0.06 0.26 115.11 119.64 1pra h GLN 22 Ca 0.31 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.04 1pra h GLN 22 Cb 0.22 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1pra h GLN 22 CO -0.20 0.18 0.61 0.87 -0.67 0.00 0.00 178.83 179.62 1pra h LYS 23 N 0.27 1.11 0.00 1.46 1.79 0.21 0.20 116.57 121.62 1pra h LYS 23 Ca 0.10 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 1pra h LYS 23 Cb 0.02 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 1pra h LYS 23 CO -0.07 0.73 -0.38 0.28 -1.08 0.00 0.00 179.45 178.94 1pra h VAL 24 N 1.14 0.93 -1.27 0.50 2.07 -0.51 -3.45 116.25 115.67 1pra h VAL 24 Ca 0.38 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1pra h VAL 24 Cb 0.05 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1pra h VAL 24 CO -0.12 0.37 -0.06 0.61 0.02 0.00 0.00 177.57 178.39 1pra n GLY 25 N 0.15 0.75 0.00 2.17 0.00 0.74 -4.86 105.19 104.14 1pra n GLY 25 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1pra n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1pra n THR 26 N -2.91 0.00 -4.62 2.61 5.66 -0.24 -5.01 114.28 109.76 1pra n THR 26 Ca -0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1pra n THR 26 Cb 0.51 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 1pra n THR 26 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1pra s THR 27 N 0.64 2.36 0.32 1.09 -4.23 -1.26 -4.22 115.64 110.34 1pra s THR 27 Ca 0.00 -1.50 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 1pra s THR 27 Cb 0.00 -2.00 0.31 0.00 1.34 0.00 0.00 72.50 72.15 1pra s THR 27 CO 0.00 0.23 1.72 -0.61 -0.54 0.00 0.00 174.62 175.42 1pra h GLN 28 N 4.31 0.51 -0.91 3.99 4.15 -1.88 0.13 115.11 125.41 1pra h GLN 28 Ca -0.49 -0.03 0.24 0.00 0.77 0.00 0.00 58.65 59.14 1pra h GLN 28 Cb 1.16 -0.12 -0.16 0.00 0.21 0.00 0.00 27.48 28.57 1pra h GLN 28 CO 0.43 0.34 0.03 -0.56 -1.93 0.00 0.00 178.83 177.14 1pra h GLN 29 N 0.53 0.06 -0.39 1.69 3.07 -1.96 0.13 115.11 118.22 1pra h GLN 29 Ca 0.65 -0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.35 1pra h GLN 29 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 1pra h GLN 29 CO -0.50 0.04 0.10 0.77 0.09 0.00 0.00 178.83 179.33 1pra h SER 30 N 0.06 0.59 0.27 0.06 0.02 -1.14 0.20 113.55 113.61 1pra h SER 30 Ca 0.54 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1pra h SER 30 Cb 1.05 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1pra h SER 30 CO -0.83 0.66 -0.13 0.40 -1.14 0.00 0.00 176.83 175.79 1pra h ILE 31 N 0.49 0.77 -0.70 3.27 5.03 -1.28 -1.77 117.51 123.33 1pra h ILE 31 Ca 0.12 -0.48 0.15 0.00 -0.12 0.00 0.00 64.86 64.53 1pra h ILE 31 Cb 0.30 1.03 -0.10 0.00 -3.03 0.00 0.00 36.82 35.02 1pra h ILE 31 CO -0.00 0.10 0.14 -0.08 -0.68 0.00 0.00 178.15 177.63 1pra h GLU 32 N -0.62 0.24 -0.34 2.37 4.57 -0.62 0.52 114.58 120.70 1pra h GLU 32 Ca -0.04 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1pra h GLU 32 Cb 0.44 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.89 1pra h GLU 32 CO 0.06 0.16 -0.37 0.37 -1.18 0.00 0.00 179.01 178.05 1pra h GLN 33 N 0.25 -0.31 -0.04 1.92 4.15 -0.49 0.64 115.11 121.23 1pra h GLN 33 Ca 0.38 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.70 1pra h GLN 33 Cb 0.64 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1pra h GLN 33 CO -0.49 -0.20 -0.55 1.25 -1.93 0.00 0.00 178.83 176.90 1pra h LEU 34 N -0.32 0.12 -0.57 -2.39 5.85 0.13 -2.00 115.31 116.13 1pra h LEU 34 Ca 0.14 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1pra h LEU 34 Cb 0.56 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1pra h LEU 34 CO -0.51 0.65 0.31 -0.33 -0.34 0.00 0.00 178.44 178.21 1pra h GLU 35 N 0.09 0.58 0.00 1.25 5.08 0.51 -0.80 114.58 121.29 1pra h GLU 35 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pra h GLU 35 Cb 1.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1pra h GLU 35 CO 0.08 0.38 0.00 0.27 -1.00 0.00 0.00 179.01 178.74 1pra n ASN 36 N -4.83 0.01 -2.24 1.42 0.23 0.16 -3.93 115.26 106.09 1pra n ASN 36 Ca 0.06 0.50 -0.15 0.00 -0.53 0.00 0.00 54.58 54.46 1pra n ASN 36 Cb 0.13 -0.51 0.04 0.00 -2.08 0.00 0.00 39.78 37.37 1pra n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pra n GLY 37 N 0.67 -0.05 0.22 4.83 0.00 -0.30 -4.94 105.19 105.63 1pra n GLY 37 Ca 0.05 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1pra n GLY 37 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pra h LYS 38 N -1.29 0.00 -6.34 1.61 2.10 -1.81 -3.45 116.57 107.38 1pra h LYS 38 Ca -0.35 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.69 1pra h LYS 38 Cb 1.24 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.45 1pra h LYS 38 CO 0.36 0.00 -0.66 -0.08 -2.00 0.00 0.00 179.45 177.07 1pra s THR 39 N -3.42 3.72 -0.02 0.07 -1.32 -1.26 -5.05 115.64 108.35 1pra s THR 39 Ca 0.04 -1.41 -0.13 0.00 -1.21 0.00 0.00 61.69 58.98 1pra s THR 39 Cb 0.08 -2.87 -0.33 0.00 -1.51 0.00 0.00 72.50 67.88 1pra s THR 39 CO 0.57 -0.10 0.79 0.07 -2.21 0.00 0.00 174.62 173.74 1pra h LYS 40 N 2.74 0.45 -2.89 7.08 2.10 -2.03 -3.45 116.57 120.57 1pra h LYS 40 Ca -0.47 -0.77 -0.28 0.00 -2.00 0.00 0.00 60.65 57.13 1pra h LYS 40 Cb 1.20 0.29 -0.35 0.00 -0.90 0.00 0.00 32.23 32.47 1pra h LYS 40 CO 0.58 1.37 -0.61 0.50 -2.00 0.00 0.00 179.45 179.29 1pra s ARG 41 N -2.58 0.10 0.98 0.07 3.52 -1.26 -5.12 118.95 114.66 1pra s ARG 41 Ca -0.14 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.82 1pra s ARG 41 Cb 0.05 -0.48 0.19 0.00 -1.56 0.00 0.00 34.95 33.15 1pra s ARG 41 CO 0.89 -0.40 1.24 -1.25 -0.81 0.00 0.00 175.30 174.97 1pra s PRO 42 N 2.33 0.52 -0.13 5.12 0.04 -1.26 -5.02 135.00 136.59 1pra s PRO 42 Ca 0.04 -0.17 0.04 0.00 0.04 0.00 0.00 61.00 60.94 1pra s PRO 42 Cb -0.13 -1.81 -0.23 0.00 0.04 0.00 0.00 34.50 32.37 1pra s PRO 42 CO -0.08 -2.53 0.30 -2.13 0.04 0.00 0.00 177.00 172.60 1pra n ARG 43 N -3.90 0.69 -0.49 4.56 3.00 -1.26 -4.30 116.66 114.96 1pra n ARG 43 Ca 0.13 0.21 0.02 0.00 -0.00 0.00 0.00 57.85 58.20 1pra n ARG 43 Cb 0.60 -1.67 0.19 0.00 0.00 0.00 0.00 32.46 31.58 1pra n ARG 43 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1pra n PHE 44 N -3.21 1.14 -0.07 -0.14 -1.74 -1.26 -4.41 117.46 107.78 1pra n PHE 44 Ca -0.30 -0.48 -0.07 0.00 -0.56 0.00 0.00 57.45 56.04 1pra n PHE 44 Cb 1.06 -0.35 -0.01 0.00 1.52 0.00 0.00 39.48 41.69 1pra n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1pra h LEU 45 N 1.92 -0.30 -0.33 5.98 5.85 -1.99 0.12 115.31 126.56 1pra h LEU 45 Ca 0.04 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1pra h LEU 45 Cb 1.35 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1pra h LEU 45 CO 0.29 -0.11 -0.28 1.55 -0.34 0.00 0.00 178.44 179.55 1pra h PRO 46 N -0.03 0.77 -0.12 5.25 0.13 -1.94 0.11 132.00 136.18 1pra h PRO 46 Ca 0.13 -0.39 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1pra h PRO 46 Cb 0.23 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.32 1pra h PRO 46 CO -0.29 1.02 -0.18 0.93 -0.23 0.00 0.00 178.00 179.24 1pra h GLU 47 N 0.54 -0.22 -0.40 0.86 4.39 -1.82 0.89 114.58 118.82 1pra h GLU 47 Ca 0.06 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1pra h GLU 47 Cb 0.85 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1pra h GLU 47 CO 0.07 -0.15 0.05 1.25 -1.16 0.00 0.00 179.01 179.07 1pra h LEU 48 N -0.23 0.65 -0.48 1.33 5.85 -0.67 0.11 115.31 121.87 1pra h LEU 48 Ca 0.09 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.63 1pra h LEU 48 Cb 0.37 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 1pra h LEU 48 CO -0.26 0.76 -0.12 0.00 -0.34 0.00 0.00 178.44 178.49 1pra h ALA 49 N 0.91 0.31 -0.25 1.25 0.00 -0.43 0.25 119.26 121.30 1pra h ALA 49 Ca 0.12 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1pra h ALA 49 Cb 0.40 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pra h ALA 49 CO 0.01 -0.44 -0.04 0.66 0.00 0.00 0.00 179.25 179.44 1pra h SER 50 N -0.00 0.47 -0.35 0.00 4.64 -0.47 0.34 113.55 118.19 1pra h SER 50 Ca 0.23 -0.35 0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1pra h SER 50 Cb 0.35 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1pra h SER 50 CO -0.49 0.71 0.05 0.00 -0.87 0.00 0.00 176.83 176.23 1pra h ALA 51 N 0.78 0.36 -0.07 5.18 0.00 -0.32 -2.52 119.26 122.67 1pra h ALA 51 Ca 0.07 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1pra h ALA 51 Cb 0.49 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pra h ALA 51 CO 0.02 -0.35 -0.79 -0.07 0.00 0.00 0.00 179.25 178.06 1pra h LEU 52 N 0.17 0.81 -1.60 0.00 3.38 -0.97 -3.49 115.31 113.61 1pra h LEU 52 Ca 0.16 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pra h LEU 52 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1pra h LEU 52 CO -0.23 1.38 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1pra n GLY 53 N 0.89 0.48 3.29 0.83 0.00 0.95 -5.01 105.19 106.63 1pra n GLY 53 Ca -0.09 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 1pra n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pra s VAL 54 N -2.53 0.00 -0.03 1.61 -7.23 0.23 -5.02 120.40 107.43 1pra s VAL 54 Ca 0.00 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1pra s VAL 54 Cb 0.00 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1pra s VAL 54 CO 0.00 0.00 0.30 -0.94 -0.31 0.00 0.00 175.10 174.15 1pra s SER 55 N -3.29 6.61 0.11 4.85 1.04 -1.26 -4.38 113.70 117.38 1pra s SER 55 Ca 0.39 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 57.37 1pra s SER 55 Cb 0.03 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 1pra s SER 55 CO 0.22 0.32 1.60 0.58 0.98 0.00 0.00 173.24 176.94 1pra h VAL 56 N 3.58 1.22 -0.72 5.02 2.07 -1.95 0.27 116.25 125.75 1pra h VAL 56 Ca -0.52 -0.74 0.16 0.00 0.82 0.00 0.00 66.70 66.42 1pra h VAL 56 Cb 1.22 1.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.98 1pra h VAL 56 CO 0.62 0.25 0.10 -2.24 0.02 0.00 0.00 177.57 176.31 1pra h ASP 57 N 0.35 -0.14 -0.25 0.57 2.03 -1.98 0.19 116.42 117.19 1pra h ASP 57 Ca 0.10 0.16 -0.07 0.00 -0.73 0.00 0.00 57.03 56.49 1pra h ASP 57 Cb 0.30 0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.03 1pra h ASP 57 CO 0.00 -0.10 -0.08 -0.25 -1.03 0.00 0.00 179.24 177.78 1pra h TRP 58 N 0.19 0.67 0.00 4.15 7.01 -1.74 0.26 115.95 126.49 1pra h TRP 58 Ca 0.40 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1pra h TRP 58 Cb 0.69 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1pra h TRP 58 CO -0.32 0.69 0.00 -0.07 -2.79 0.00 0.00 178.44 175.95 1pra h LEU 59 N 0.58 0.00 0.00 0.65 3.38 0.12 0.32 115.31 120.37 1pra h LEU 59 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1pra h LEU 59 Cb 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pra h LEU 59 CO 0.03 0.00 -0.57 0.18 0.09 0.00 0.00 178.44 178.16 1pra n LEU 60 N -2.77 1.82 -0.03 1.67 4.77 0.42 -4.75 117.00 118.13 1pra n LEU 60 Ca 0.00 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 1pra n LEU 60 Cb 0.23 -0.86 -0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1pra n LEU 60 CO 0.23 -0.44 0.02 -0.55 -1.33 0.00 0.00 177.39 175.31 1pra h ASN 61 N -1.00 -0.03 -4.06 -1.43 7.08 -0.70 -3.51 115.58 111.93 1pra h ASN 61 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1pra h ASN 61 Cb 0.57 0.01 -0.04 0.00 -2.08 0.00 0.00 38.32 36.78 1pra h ASN 61 CO -0.01 0.41 -0.74 0.61 -2.08 0.00 0.00 177.43 175.62 1pra n GLY 62 N 1.69 -4.44 2.80 9.14 0.00 0.11 -4.85 105.19 109.64 1pra n GLY 62 Ca -0.00 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.28 1pra n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pra n THR 63 N 1.02-10.91 -5.22 2.61 -2.24 -1.26 -5.04 114.28 93.23 1pra n THR 63 Ca -0.12 0.94 -0.31 0.00 -2.27 0.00 0.00 64.05 62.29 1pra n THR 63 Cb 0.19 -7.19 -0.16 0.00 -2.10 0.00 0.00 70.33 61.07 1pra n THR 63 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pra s SER 64 N -2.49 2.96 -0.19 3.42 0.15 -1.26 -4.91 113.70 111.38 1pra s SER 64 Ca 0.22 -0.49 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 1pra s SER 64 Cb -0.06 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 1pra s SER 64 CO 0.75 0.25 0.26 -0.90 1.20 0.00 0.00 173.24 174.79 1pra n ASP 65 N 2.90 -6.31 -0.52 5.45 5.75 -1.26 -4.74 116.55 117.82 1pra n ASP 65 Ca -0.17 0.26 0.06 0.00 -0.01 0.00 0.00 54.79 54.94 1pra n ASP 65 Cb 0.52 -1.94 -0.03 0.00 -1.03 0.00 0.00 41.12 38.64 1pra n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1pra n SER 66 N 0.68 -2.93 -1.86 -1.12 7.64 -1.26 -5.09 113.62 109.67 1pra n SER 66 Ca -0.03 0.47 -0.02 0.00 1.01 0.00 0.00 58.87 60.30 1pra n SER 66 Cb 0.54 -1.75 -0.02 0.00 -1.01 0.00 0.00 64.21 61.97 1pra n SER 66 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pra n ASN 67 N -2.96 -2.24 -3.39 6.43 2.85 -1.26 -4.90 115.26 109.79 1pra n ASN 67 Ca -0.03 0.62 -0.15 0.00 -0.11 0.00 0.00 54.58 54.91 1pra n ASN 67 Cb 0.25 -2.80 -0.09 0.00 1.24 0.00 0.00 39.78 38.37 1pra n ASN 67 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1pra s VAL 68 N -0.27 -0.44 0.00 3.44 0.11 -1.26 -4.33 120.40 117.64 1pra s VAL 68 Ca -0.09 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1pra s VAL 68 Cb 0.01 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1pra s VAL 68 CO 0.25 -0.39 0.00 -1.14 -3.33 0.00 0.00 175.10 170.49