#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 1.17 -0.32 2.46 2.10 -1.94 0.13 117.51 121.11 1pra h ILE 2 Ca 0.00 -0.35 0.05 0.00 1.08 0.00 0.00 64.86 65.64 1pra h ILE 2 Cb 0.00 0.05 -0.05 0.00 -1.09 0.00 0.00 36.82 35.73 1pra h ILE 2 CO 0.00 0.19 0.04 -1.28 -1.08 0.00 0.00 178.15 176.02 1pra h SER 3 N 1.03 -0.04 -0.15 2.19 0.87 -1.87 -0.03 113.55 115.55 1pra h SER 3 Ca 0.30 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.97 1pra h SER 3 Cb -0.08 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 1pra h SER 3 CO -0.08 0.01 -0.24 0.28 -0.53 0.00 0.00 176.83 176.28 1pra h SER 4 N 0.14 -0.73 0.09 6.23 0.02 -1.68 0.92 113.55 118.55 1pra h SER 4 Ca 0.15 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1pra h SER 4 Cb 0.19 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1pra h SER 4 CO -0.22 -0.28 -0.32 0.03 -1.14 0.00 0.00 176.83 174.90 1pra h ARG 5 N -0.29 -0.45 0.06 3.45 3.08 0.23 0.21 114.38 120.67 1pra h ARG 5 Ca 0.11 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1pra h ARG 5 Cb 0.45 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1pra h ARG 5 CO -0.32 -0.30 -0.03 0.28 -1.07 0.00 0.00 179.97 178.53 1pra h VAL 6 N -0.47 0.98 0.58 2.04 2.07 -0.96 -1.33 116.25 119.16 1pra h VAL 6 Ca -0.01 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1pra h VAL 6 Cb 0.46 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1pra h VAL 6 CO -0.16 0.03 -0.33 0.50 0.02 0.00 0.00 177.57 177.62 1pra h LYS 7 N -0.12 -0.83 -0.64 1.57 1.63 -0.71 0.30 116.57 117.76 1pra h LYS 7 Ca -0.01 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1pra h LYS 7 Cb 0.10 0.19 -0.10 0.00 -0.60 0.00 0.00 32.23 31.83 1pra h LYS 7 CO 0.01 -0.55 0.12 0.77 -3.45 0.00 0.00 179.45 176.36 1pra h SER 8 N -0.86 -0.03 -0.61 4.20 0.02 -0.57 -0.00 113.55 115.70 1pra h SER 8 Ca -0.07 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1pra h SER 8 Cb 0.69 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1pra h SER 8 CO 0.09 -0.02 0.15 0.50 -1.14 0.00 0.00 176.83 176.41 1pra h LYS 9 N 0.24 1.01 -0.32 3.45 1.63 -0.91 0.16 116.57 121.83 1pra h LYS 9 Ca 0.34 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 1pra h LYS 9 Cb 0.54 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.95 1pra h LYS 9 CO -0.45 0.90 -0.22 -0.09 -3.45 0.00 0.00 179.45 176.14 1pra h ARG 10 N 0.96 -0.18 0.25 1.90 9.65 0.87 0.79 114.38 128.63 1pra h ARG 10 Ca 0.20 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1pra h ARG 10 Cb 0.34 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1pra h ARG 10 CO 0.00 -0.12 -0.20 0.82 2.80 0.00 0.00 179.97 183.28 1pra h ILE 11 N -0.18 0.58 -0.96 1.20 5.03 -0.52 0.56 117.51 123.21 1pra h ILE 11 Ca 0.17 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.07 1pra h ILE 11 Cb 0.44 0.58 -0.09 0.00 -3.03 0.00 0.00 36.82 34.72 1pra h ILE 11 CO -0.43 0.00 0.61 1.56 -0.68 0.00 0.00 178.15 179.21 1pra h GLN 12 N -0.46 0.73 -0.03 2.37 1.08 -0.61 0.29 115.11 118.48 1pra h GLN 12 Ca -0.01 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 1pra h GLN 12 Cb 0.41 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1pra h GLN 12 CO -0.01 0.48 -0.48 -0.07 -0.95 0.00 0.00 178.83 177.80 1pra h LEU 13 N 0.75 0.08 -1.15 1.46 3.38 -0.44 -3.48 115.31 115.91 1pra h LEU 13 Ca 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1pra h LEU 13 Cb 0.80 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1pra h LEU 13 CO -0.28 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1pra n GLY 14 N -0.10 0.88 3.19 0.83 0.00 0.10 -5.08 105.19 105.01 1pra n GLY 14 Ca -0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.15 1.74 0.54 0.99 1.43 -0.91 -5.04 118.68 116.28 1pra s LEU 15 Ca 0.00 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.94 1pra s LEU 15 Cb 0.00 0.22 0.06 0.00 0.03 0.00 0.00 46.19 46.50 1pra s LEU 15 CO 0.00 -0.72 0.60 0.54 0.23 0.00 0.00 176.35 177.00 1pra s ASN 16 N -3.11 4.94 0.12 2.29 2.20 -1.26 -4.30 114.94 115.82 1pra s ASN 16 Ca 0.27 -0.98 -0.20 0.00 -0.94 0.00 0.00 52.86 51.02 1pra s ASN 16 Cb 0.07 0.23 -0.06 0.00 -2.00 0.00 0.00 41.25 39.50 1pra s ASN 16 CO 0.05 -1.17 1.75 1.56 -2.94 0.00 0.00 177.10 176.34 1pra h GLN 17 N 0.49 0.14 -0.39 3.55 4.20 -1.99 -0.10 115.11 121.02 1pra h GLN 17 Ca -0.34 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.31 1pra h GLN 17 Cb 1.29 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1pra h GLN 17 CO 0.49 0.09 0.02 0.00 -0.67 0.00 0.00 178.83 178.76 1pra h ALA 18 N 1.11 0.52 -0.46 3.87 0.00 -1.96 0.34 119.26 122.68 1pra h ALA 18 Ca 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1pra h ALA 18 Cb 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1pra h ALA 18 CO -0.07 0.28 0.01 0.93 0.00 0.00 0.00 179.25 180.39 1pra h GLU 19 N 0.50 0.12 -0.08 0.00 5.08 -1.92 0.15 114.58 118.44 1pra h GLU 19 Ca 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1pra h GLU 19 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1pra h GLU 19 CO 0.02 0.08 0.03 1.25 -1.00 0.00 0.00 179.01 179.38 1pra h LEU 20 N 0.12 0.03 -0.81 1.33 6.46 -0.64 -1.26 115.31 120.55 1pra h LEU 20 Ca 0.23 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.16 1pra h LEU 20 Cb 0.33 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 1pra h LEU 20 CO -0.37 0.03 0.32 0.00 -0.62 0.00 0.00 178.44 177.80 1pra h ALA 21 N 1.05 1.18 0.59 1.25 0.00 -0.15 0.69 119.26 123.86 1pra h ALA 21 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pra h ALA 21 Cb 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pra h ALA 21 CO -0.03 -0.25 -0.35 1.96 0.00 0.00 0.00 179.25 180.58 1pra h GLN 22 N 0.43 -0.84 0.00 0.00 4.20 -0.27 0.24 115.11 118.87 1pra h GLN 22 Ca 0.46 0.06 -0.03 0.00 0.06 0.00 0.00 58.65 59.20 1pra h GLN 22 Cb 0.76 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1pra h GLN 22 CO -0.45 -0.56 -0.16 1.57 -0.67 0.00 0.00 178.83 178.56 1pra h LYS 23 N -0.88 0.00 -0.12 1.46 2.10 -0.30 0.11 116.57 118.95 1pra h LYS 23 Ca -0.07 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1pra h LYS 23 Cb 0.71 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1pra h LYS 23 CO 0.08 0.16 -0.51 0.28 -2.00 0.00 0.00 179.45 177.46 1pra h VAL 24 N 0.00 1.34 -1.43 0.07 2.07 -0.74 -3.48 116.25 114.08 1pra h VAL 24 Ca -0.00 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1pra h VAL 24 Cb 0.36 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1pra h VAL 24 CO 0.02 0.53 -0.02 0.61 0.02 0.00 0.00 177.57 178.73 1pra n GLY 25 N 0.08 0.76 0.00 2.17 0.00 0.68 -4.96 105.19 103.92 1pra n GLY 25 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.08 0.00 -5.13 2.61 5.66 -0.22 -5.03 114.28 110.10 1pra n THR 26 Ca -0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1pra n THR 26 Cb 0.50 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 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 0.09 2.44 0.47 1.09 -4.23 -1.26 -4.47 115.64 109.77 1pra s THR 27 Ca 0.00 -0.95 0.26 0.00 -1.18 0.00 0.00 61.69 59.82 1pra s THR 27 Cb 0.00 -1.91 0.45 0.00 1.34 0.00 0.00 72.50 72.38 1pra s THR 27 CO 0.00 0.58 1.82 -0.61 -0.54 0.00 0.00 174.62 175.87 1pra h GLN 28 N 5.66 0.20 -0.66 3.99 4.15 -1.90 0.59 115.11 127.15 1pra h GLN 28 Ca -0.40 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.12 1pra h GLN 28 Cb 1.15 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 1pra h GLN 28 CO 0.49 0.14 0.24 0.37 -1.93 0.00 0.00 178.83 178.13 1pra h GLN 29 N 0.21 0.39 -0.46 1.69 5.75 -1.99 0.19 115.11 120.89 1pra h GLN 29 Ca 0.53 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.96 1pra h GLN 29 Cb 1.69 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 30.13 1pra h GLN 29 CO -0.14 0.26 0.10 0.77 -2.65 0.00 0.00 178.83 177.16 1pra h SER 30 N 0.41 0.66 0.10 -0.69 0.02 -1.30 -0.97 113.55 111.78 1pra h SER 30 Ca 0.34 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1pra h SER 30 Cb 0.47 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1pra h SER 30 CO -0.35 0.66 -0.05 0.40 -1.14 0.00 0.00 176.83 176.35 1pra h ILE 31 N 0.68 1.07 0.18 3.27 1.08 -0.92 -1.43 117.51 121.45 1pra h ILE 31 Ca 0.15 -0.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1pra h ILE 31 Cb 0.28 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1pra h ILE 31 CO 0.00 0.17 -0.50 -0.08 -0.69 0.00 0.00 178.15 177.05 1pra h GLU 32 N -0.46 -0.74 -0.83 2.37 4.81 -0.43 0.10 114.58 119.40 1pra h GLU 32 Ca -0.01 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1pra h GLU 32 Cb 0.38 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1pra h GLU 32 CO 0.02 -0.49 0.51 -0.56 -0.73 0.00 0.00 179.01 177.76 1pra h GLN 33 N -0.77 0.92 -0.13 1.92 -0.00 -1.23 0.15 115.11 115.98 1pra h GLN 33 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1pra h GLN 33 Cb 0.76 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.48 28.02 1pra h GLN 33 CO -0.24 0.61 0.08 1.25 -0.00 0.00 0.00 178.83 180.53 1pra h LEU 34 N 0.95 0.14 -1.54 0.06 5.85 -0.95 -0.48 115.31 119.33 1pra h LEU 34 Ca 0.36 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1pra h LEU 34 Cb 0.14 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1pra h LEU 34 CO -0.16 0.10 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.54 1pra h GLU 35 N 0.17 0.08 0.00 1.25 3.07 -0.02 0.23 114.58 119.36 1pra h GLU 35 Ca 0.05 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1pra h GLU 35 Cb -0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1pra h GLU 35 CO -0.01 0.25 0.00 0.09 -1.40 0.00 0.00 179.01 177.94 1pra n ASN 36 N -4.30 0.00 -3.22 1.42 3.02 0.45 -4.10 115.26 108.53 1pra n ASN 36 Ca -0.02 -0.79 -0.22 0.00 -0.03 0.00 0.00 54.58 53.53 1pra n ASN 36 Cb 0.26 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.49 1pra n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pra n GLY 37 N 0.19 -0.44 2.84 7.41 0.00 0.82 -4.94 105.19 111.08 1pra n GLY 37 Ca 0.11 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 1pra n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pra n LYS 38 N -4.45 3.13 -3.75 1.61 5.02 -0.22 -4.97 118.16 114.53 1pra n LYS 38 Ca -0.02 -4.73 -0.12 0.00 -2.02 0.00 0.00 58.31 51.41 1pra n LYS 38 Cb 0.57 -2.20 -0.11 0.00 -0.02 0.00 0.00 35.03 33.27 1pra n LYS 38 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pra s THR 39 N -4.48 -0.01 -0.02 -0.18 2.01 -1.26 -4.51 115.64 107.19 1pra s THR 39 Ca 0.48 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.40 1pra s THR 39 Cb 0.30 -0.46 -0.07 0.00 0.01 0.00 0.00 72.50 72.28 1pra s THR 39 CO -0.14 0.01 0.60 0.11 -0.69 0.00 0.00 174.62 174.51 1pra h LYS 40 N 6.05 -0.41 -1.72 4.92 1.79 -2.00 -3.47 116.57 121.73 1pra h LYS 40 Ca -0.30 0.03 -0.27 0.00 -2.18 0.00 0.00 60.65 57.93 1pra h LYS 40 Cb 1.18 0.09 -0.28 0.00 -1.58 0.00 0.00 32.23 31.64 1pra h LYS 40 CO 0.31 -0.27 -0.60 0.50 -1.08 0.00 0.00 179.45 178.31 1pra s ARG 41 N -3.01 0.60 0.25 3.15 3.00 -1.26 -5.10 118.95 116.59 1pra s ARG 41 Ca -0.06 -0.48 -0.30 0.00 -1.00 0.00 0.00 55.73 53.89 1pra s ARG 41 Cb 0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 34.95 34.39 1pra s ARG 41 CO 0.19 -1.15 1.30 -1.25 0.00 0.00 0.00 175.30 174.39 1pra s PRO 42 N 1.82 4.39 0.38 5.12 0.04 -1.26 -4.88 135.00 140.61 1pra s PRO 42 Ca 0.15 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.39 1pra s PRO 42 Cb -0.12 -3.14 0.86 0.00 0.04 0.00 0.00 34.50 32.13 1pra s PRO 42 CO -0.12 -0.20 1.94 -0.09 0.04 0.00 0.00 177.00 178.56 1pra h ARG 43 N 4.55 0.61 -0.99 4.56 2.43 -2.05 0.05 114.38 123.53 1pra h ARG 43 Ca -0.46 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1pra h ARG 43 Cb 1.22 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1pra h ARG 43 CO 0.72 0.40 0.01 1.97 -1.51 0.00 0.00 179.97 181.57 1pra n PHE 44 N -4.49 0.09 0.06 2.20 1.16 -1.26 -4.38 117.46 110.83 1pra n PHE 44 Ca 0.12 -0.28 -0.15 0.00 -1.87 0.00 0.00 57.45 55.28 1pra n PHE 44 Cb 0.35 -0.19 -0.08 0.00 -1.61 0.00 0.00 39.48 37.94 1pra n PHE 44 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1pra h LEU 45 N 0.56 -1.48 -0.50 5.98 3.38 -1.34 0.19 115.31 122.10 1pra h LEU 45 Ca 0.01 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1pra h LEU 45 Cb 0.81 0.57 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1pra h LEU 45 CO 0.03 -0.50 0.06 1.55 0.09 0.00 0.00 178.44 179.67 1pra h PRO 46 N -0.63 0.84 -0.31 1.13 0.13 -1.86 0.57 132.00 131.87 1pra h PRO 46 Ca 0.03 -0.24 0.06 0.00 -0.87 0.00 0.00 66.00 64.99 1pra h PRO 46 Cb 0.70 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.67 1pra h PRO 46 CO -0.34 0.85 -0.09 0.93 -0.23 0.00 0.00 178.00 179.12 1pra h GLU 47 N 0.71 -0.02 0.14 0.86 5.08 -1.84 0.90 114.58 120.42 1pra h GLU 47 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1pra h GLU 47 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pra h GLU 47 CO 0.01 -0.01 -0.07 1.25 -1.00 0.00 0.00 179.01 179.20 1pra h LEU 48 N -0.02 -0.16 -0.48 1.33 5.85 -0.34 0.13 115.31 121.62 1pra h LEU 48 Ca 0.15 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1pra h LEU 48 Cb 0.25 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1pra h LEU 48 CO -0.33 0.01 -0.00 0.00 -0.34 0.00 0.00 178.44 177.78 1pra h ALA 49 N 0.51 0.45 0.53 1.25 0.00 -0.55 0.20 119.26 121.65 1pra h ALA 49 Ca -0.02 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pra h ALA 49 Cb 0.26 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pra h ALA 49 CO 0.03 -0.39 -0.25 0.77 0.00 0.00 0.00 179.25 179.41 1pra h SER 50 N 0.11 -0.60 -0.98 0.00 0.02 -0.73 0.38 113.55 111.76 1pra h SER 50 Ca 0.24 -0.01 0.23 0.00 -0.84 0.00 0.00 61.79 61.41 1pra h SER 50 Cb 0.36 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.97 1pra h SER 50 CO -0.40 -0.38 0.63 0.00 -1.14 0.00 0.00 176.83 175.54 1pra h ALA 51 N -0.33 2.14 0.00 3.77 0.00 -0.15 -1.20 119.26 123.50 1pra h ALA 51 Ca -0.07 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1pra h ALA 51 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1pra h ALA 51 CO 0.12 -0.49 -1.36 1.28 0.00 0.00 0.00 179.25 178.79 1pra n LEU 52 N -4.59 0.67 -3.17 0.00 4.77 0.64 -5.03 117.00 110.29 1pra n LEU 52 Ca 0.22 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1pra n LEU 52 Cb 0.76 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1pra n LEU 52 CO 0.27 -0.02 0.18 0.61 -1.33 0.00 0.00 177.39 177.10 1pra n GLY 53 N 1.29 -1.20 3.48 -0.72 0.00 0.13 -5.00 105.19 103.16 1pra n GLY 53 Ca -0.05 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.19 0.00 0.16 1.61 -7.23 -0.62 -5.04 120.40 106.09 1pra s VAL 54 Ca 0.22 -1.60 -0.10 0.00 -1.81 0.00 0.00 61.98 58.70 1pra s VAL 54 Cb -0.03 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 1pra s VAL 54 CO 0.75 0.00 0.48 -0.94 -0.31 0.00 0.00 175.10 175.09 1pra s SER 55 N -3.15 6.65 0.10 4.85 1.04 -1.26 -4.50 113.70 117.43 1pra s SER 55 Ca 0.29 0.87 -0.18 0.00 0.48 0.00 0.00 55.95 57.41 1pra s SER 55 Cb 0.01 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 1pra s SER 55 CO 0.15 0.05 1.58 0.58 0.98 0.00 0.00 173.24 176.58 1pra h VAL 56 N 2.41 1.23 -0.83 5.02 2.07 -1.94 -0.93 116.25 123.28 1pra h VAL 56 Ca -0.48 -0.78 0.20 0.00 0.82 0.00 0.00 66.70 66.47 1pra h VAL 56 Cb 1.18 1.19 -0.14 0.00 -1.52 0.00 0.00 31.29 32.00 1pra h VAL 56 CO 0.68 0.25 0.04 -2.24 0.02 0.00 0.00 177.57 176.33 1pra h ASP 57 N 0.29 -0.33 -0.37 0.57 2.03 -1.97 0.20 116.42 116.84 1pra h ASP 57 Ca 0.09 0.21 -0.07 0.00 -0.73 0.00 0.00 57.03 56.53 1pra h ASP 57 Cb 0.33 0.36 -0.01 0.00 -0.83 0.00 0.00 39.33 39.18 1pra h ASP 57 CO 0.00 -0.21 -0.04 -0.25 -1.03 0.00 0.00 179.24 177.71 1pra h TRP 58 N 0.10 0.75 0.00 4.15 7.01 -1.67 0.18 115.95 126.47 1pra h TRP 58 Ca 0.47 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.33 1pra h TRP 58 Cb 0.88 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1pra h TRP 58 CO -0.42 0.80 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.96 1pra h LEU 59 N 0.49 0.00 0.00 0.65 3.38 0.09 -0.11 115.31 119.81 1pra h LEU 59 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pra h LEU 59 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1pra h LEU 59 CO 0.03 0.00 -0.27 -0.07 0.09 0.00 0.00 178.44 178.21 1pra h LEU 60 N 0.00 0.00 -5.36 1.67 3.38 0.21 -3.47 115.31 111.74 1pra h LEU 60 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1pra h LEU 60 Cb 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.53 1pra h LEU 60 CO 0.00 0.64 -0.71 -0.46 0.09 0.00 0.00 178.44 177.99 1pra n ASN 61 N -4.68 -1.52 -3.73 -0.43 0.23 0.54 -5.00 115.26 100.66 1pra n ASN 61 Ca -0.04 -3.27 -0.29 0.00 -0.53 0.00 0.00 54.58 50.45 1pra n ASN 61 Cb 0.14 0.99 -0.16 0.00 -2.08 0.00 0.00 39.78 38.68 1pra n ASN 61 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pra s GLY 62 N -1.60 0.90 -0.17 4.83 0.00 -0.07 -4.75 107.32 106.46 1pra s GLY 62 Ca 0.31 -1.22 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 1pra s GLY 62 CO -0.13 1.53 0.18 -0.51 0.00 0.00 0.00 173.10 174.17 1pra s THR 63 N 1.74 -0.26 0.13 0.90 -4.23 -1.26 -4.79 115.64 107.85 1pra s THR 63 Ca 0.04 -0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1pra s THR 63 Cb -0.17 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.11 1pra s THR 63 CO -0.18 -0.14 0.30 -0.55 -0.54 0.00 0.00 174.62 173.52 1pra s SER 64 N 2.28 -0.04 0.53 3.99 0.15 -1.26 -5.12 113.70 114.23 1pra s SER 64 Ca 0.05 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 56.05 1pra s SER 64 Cb -0.15 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1pra s SER 64 CO -0.10 -0.83 0.87 -1.81 1.20 0.00 0.00 173.24 172.57 1pra s ASP 65 N -2.87 6.23 0.15 5.45 1.01 -1.26 -4.94 116.67 120.45 1pra s ASP 65 Ca 0.07 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.41 1pra s ASP 65 Cb 0.03 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1pra s ASP 65 CO -0.08 -0.69 0.00 -1.20 0.21 0.00 0.00 175.17 173.41 1pra n SER 66 N -2.43 -5.41 -3.64 0.27 7.64 -1.26 -5.00 113.62 103.79 1pra n SER 66 Ca 0.02 0.63 -0.27 0.00 1.01 0.00 0.00 58.87 60.27 1pra n SER 66 Cb 0.55 -2.21 -0.11 0.00 -1.01 0.00 0.00 64.21 61.43 1pra n SER 66 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pra n ASN 67 N 0.30 1.77 -4.14 6.43 4.13 -1.26 -4.84 115.26 117.64 1pra n ASN 67 Ca 0.00 -2.93 -0.35 0.00 1.68 0.00 0.00 54.58 52.98 1pra n ASN 67 Cb 0.00 -0.67 -0.04 0.00 -1.54 0.00 0.00 39.78 37.53 1pra n ASN 67 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1pra n VAL 68 N 2.11 -0.69 -1.63 2.41 0.24 -1.26 -5.32 118.33 114.19 1pra n VAL 68 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1pra n VAL 68 Cb 0.41 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.48 1pra n VAL 68 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23