#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve n SER 2 N 0.00 0.27 -1.38 1.61 7.64 -1.26 -5.16 113.62 115.35 1pve n SER 2 Ca 0.00 -1.13 0.17 0.00 1.01 0.00 0.00 58.87 58.92 1pve n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1pve n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1pve n HIS 3 N -0.07 -3.46 -2.29 1.43 -0.00 -1.26 -4.88 115.22 104.70 1pve n HIS 3 Ca 0.00 1.80 -0.40 0.00 -0.00 0.00 0.00 57.72 59.12 1pve n HIS 3 Cb 0.45 -3.15 -0.03 0.00 -0.00 0.00 0.00 29.99 27.26 1pve n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1pve s MET 4 N -3.03 4.44 0.00 1.57 1.00 -1.26 -4.95 119.30 117.07 1pve s MET 4 Ca 0.00 2.00 0.17 0.00 0.00 0.00 0.00 55.69 57.86 1pve s MET 4 Cb 0.00 -3.07 0.73 0.00 0.00 0.00 0.00 34.83 32.49 1pve s MET 4 CO 0.00 -0.04 1.53 -0.35 0.00 0.00 0.00 175.02 176.17 1pve n PRO 5 N 0.87 0.02 -0.46 2.03 -0.04 -1.26 -3.04 135.00 133.13 1pve n PRO 5 Ca 0.00 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1pve n PRO 5 Cb 0.44 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.71 1pve n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1pve n LEU 6 N -1.48 4.04 0.27 1.53 4.77 -1.26 -4.60 117.00 120.26 1pve n LEU 6 Ca 0.04 -2.03 0.14 0.00 -0.03 0.00 0.00 56.01 54.13 1pve n LEU 6 Cb 0.19 -0.51 0.73 0.00 -2.33 0.00 0.00 43.42 41.50 1pve n LEU 6 CO 0.15 0.82 1.01 1.05 -1.33 0.00 0.00 177.39 179.09 1pve h GLU 7 N 3.85 0.00 -0.14 3.23 4.11 -1.95 -0.43 114.58 123.24 1pve h GLU 7 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1pve h GLU 7 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1pve h GLU 7 CO 0.12 0.00 0.15 0.74 0.07 0.00 0.00 179.01 180.09 1pve h PHE 8 N 0.00 0.00 0.00 2.06 0.04 -1.90 -2.14 116.94 115.00 1pve h PHE 8 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1pve h PHE 8 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1pve h PHE 8 CO 0.00 0.00 -0.35 -0.07 -0.60 0.00 0.00 178.31 177.29 1pve h LEU 9 N 0.00 0.00 0.00 1.54 3.38 -1.46 -3.30 115.31 115.47 1pve h LEU 9 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pve h LEU 9 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1pve h LEU 9 CO -0.00 0.35 0.00 0.54 0.09 0.00 0.00 178.44 179.42 1pve n ARG 10 N -3.85 0.21 0.00 1.13 1.74 -0.81 -2.03 116.66 113.05 1pve n ARG 10 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1pve n ARG 10 Cb 0.42 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1pve n ARG 10 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pve n ASN 11 N -1.16 1.16 -4.69 0.55 4.13 -1.24 -5.04 115.26 108.97 1pve n ASN 11 Ca 0.06 -1.31 -0.39 0.00 1.68 0.00 0.00 54.58 54.61 1pve n ASN 11 Cb 0.06 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.24 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1pve s GLN 12 N -0.31 4.29 0.21 3.52 -1.52 -0.86 -5.01 119.66 119.99 1pve s GLN 12 Ca 0.00 0.62 -0.11 0.00 -1.95 0.00 0.00 55.36 53.92 1pve s GLN 12 Cb 0.00 -3.51 0.29 0.00 -0.22 0.00 0.00 33.01 29.57 1pve s GLN 12 CO 0.00 -0.07 1.66 -1.35 -0.25 0.00 0.00 175.29 175.28 1pve h PRO 13 N 7.13 0.11 0.00 2.91 0.11 -1.97 -2.26 132.00 138.03 1pve h PRO 13 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pve h PRO 13 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pve h PRO 13 CO 0.76 0.07 0.00 -0.56 -0.21 0.00 0.00 178.00 178.06 1pve h GLN 14 N 0.11 0.00 0.00 1.05 3.07 -1.96 -3.20 115.11 114.19 1pve h GLN 14 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1pve h GLN 14 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1pve h GLN 14 CO -0.53 0.00 0.00 1.19 0.09 0.00 0.00 178.83 179.58 1pve n PHE 15 N -2.30 0.00 0.26 0.06 3.01 -0.85 -1.56 117.46 116.08 1pve n PHE 15 Ca 0.05 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.66 1pve n PHE 15 Cb 0.41 -0.41 0.60 0.00 -0.01 0.00 0.00 39.48 40.07 1pve n PHE 15 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1pve h GLN 16 N 0.00 0.00 0.00 -1.08 4.20 -1.63 -3.41 115.11 113.19 1pve h GLN 16 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 16 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1pve h GLN 16 CO 0.00 0.05 -1.27 1.04 -0.67 0.00 0.00 178.83 177.98 1pve n GLN 17 N -3.16 0.12 -0.03 1.46 6.02 -0.60 -4.38 117.38 116.81 1pve n GLN 17 Ca 0.01 0.05 0.10 0.00 -0.01 0.00 0.00 57.00 57.15 1pve n GLN 17 Cb 0.35 -0.70 0.50 0.00 1.02 0.00 0.00 30.24 31.40 1pve n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pve h MET 18 N -0.20 0.39 -0.02 -1.09 -0.00 -1.55 -2.04 114.93 110.41 1pve h MET 18 Ca -0.14 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.70 59.42 1pve h MET 18 Cb 1.09 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.58 1pve h MET 18 CO -0.08 0.26 -0.55 0.00 -0.00 0.00 0.00 176.91 176.54 1pve h ARG 19 N 0.40 0.06 -0.08 -0.10 3.08 -1.83 -2.36 114.38 113.54 1pve h ARG 19 Ca 0.22 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1pve h ARG 19 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1pve h ARG 19 CO -0.06 0.59 -0.15 1.96 -1.07 0.00 0.00 179.97 181.24 1pve h GLN 20 N 0.05 0.12 -0.25 0.04 4.20 -1.63 -2.09 115.11 115.55 1pve h GLN 20 Ca -0.00 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1pve h GLN 20 Cb 0.98 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1pve h GLN 20 CO 0.07 0.28 -0.20 0.82 -0.67 0.00 0.00 178.83 179.13 1pve h ILE 21 N 0.11 1.31 -0.13 2.54 2.04 -1.43 -3.22 117.51 118.74 1pve h ILE 21 Ca 0.02 -1.34 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 1pve h ILE 21 Cb 0.34 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1pve h ILE 21 CO 0.02 0.42 -0.36 0.40 0.00 0.00 0.00 178.15 178.63 1pve h ILE 22 N 0.30 1.29 0.00 -0.67 1.08 -1.36 -0.16 117.51 117.99 1pve h ILE 22 Ca 0.05 -1.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1pve h ILE 22 Cb 0.74 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1pve h ILE 22 CO 0.05 0.43 0.00 0.00 -0.69 0.00 0.00 178.15 177.94 1pve n GLN 23 N -4.06 0.36 0.00 2.37 6.02 -0.80 -1.65 117.38 119.62 1pve n GLN 23 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1pve n GLN 23 Cb 0.45 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pve n GLN 24 N -0.89 1.35 -3.66 -1.09 6.02 -0.70 -4.93 117.38 113.48 1pve n GLN 24 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.78 1pve n GLN 24 Cb 0.03 -0.88 -0.11 0.00 1.02 0.00 0.00 30.24 30.30 1pve n GLN 24 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1pve s ASN 25 N -3.21 3.23 0.57 1.08 -0.87 -0.15 -4.97 114.94 110.62 1pve s ASN 25 Ca 0.00 -3.34 0.34 0.00 -1.57 0.00 0.00 52.86 48.29 1pve s ASN 25 Cb 0.00 -1.04 1.69 0.00 -0.02 0.00 0.00 41.25 41.87 1pve s ASN 25 CO 0.00 -0.15 2.12 1.55 -2.57 0.00 0.00 177.10 178.06 1pve h PRO 26 N 5.70 0.00 0.00 -0.60 0.13 -1.57 -1.78 132.00 133.88 1pve h PRO 26 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1pve h PRO 26 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pve h PRO 26 CO 0.54 0.05 0.15 0.66 -0.23 0.00 0.00 178.00 179.17 1pve h SER 27 N 0.00 0.00 -0.37 1.44 4.64 -1.93 -2.21 113.55 115.11 1pve h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pve h SER 27 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1pve h SER 27 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1pve n LEU 28 N -2.69 3.31 -0.05 5.97 4.77 -0.67 -4.45 117.00 123.19 1pve n LEU 28 Ca -0.02 -1.55 -0.08 0.00 -0.03 0.00 0.00 56.01 54.33 1pve n LEU 28 Cb 0.20 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1pve n LEU 28 CO 0.14 0.73 0.74 0.25 -1.33 0.00 0.00 177.39 177.92 1pve h LEU 29 N 3.98 -0.56 -0.52 2.23 5.85 -1.54 -1.24 115.31 123.51 1pve h LEU 29 Ca 0.00 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1pve h LEU 29 Cb 0.91 0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.13 1pve h LEU 29 CO 0.00 -0.21 -0.11 -0.65 -0.34 0.00 0.00 178.44 177.13 1pve h PRO 30 N -0.17 0.01 0.00 5.25 0.11 -1.81 -1.84 132.00 133.55 1pve h PRO 30 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1pve h PRO 30 Cb 0.37 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1pve h PRO 30 CO -0.34 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.46 1pve n ALA 31 N -2.87 1.44 -0.09 -0.75 0.00 -0.91 -0.66 120.51 116.67 1pve n ALA 31 Ca 0.05 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1pve n ALA 31 Cb 0.28 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 1pve n ALA 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pve n LEU 32 N -2.05 2.66 -0.19 0.00 7.94 -0.52 -3.23 117.00 121.61 1pve n LEU 32 Ca 0.01 0.07 -0.03 0.00 -1.11 0.00 0.00 56.01 54.95 1pve n LEU 32 Cb 0.15 -0.96 0.08 0.00 0.53 0.00 0.00 43.42 43.21 1pve n LEU 32 CO 0.14 0.82 1.04 -0.07 -1.11 0.00 0.00 177.39 178.21 1pve h LEU 33 N -0.19 0.41 -2.26 -1.96 3.38 -1.13 0.23 115.31 113.78 1pve h LEU 33 Ca -0.54 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1pve h LEU 33 Cb 1.86 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 1pve h LEU 33 CO -0.09 0.27 -0.02 1.56 0.09 0.00 0.00 178.44 180.24 1pve h GLN 34 N 0.55 0.00 0.14 1.13 4.20 -1.06 -1.06 115.11 119.01 1pve h GLN 34 Ca 0.26 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.66 1pve h GLN 34 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1pve h GLN 34 CO -0.19 0.02 -1.49 0.37 -0.67 0.00 0.00 178.83 176.87 1pve h GLN 35 N 0.00 0.30 -0.98 1.46 5.75 -1.10 -3.21 115.11 117.32 1pve h GLN 35 Ca -0.00 -0.51 0.06 0.00 -0.15 0.00 0.00 58.65 58.05 1pve h GLN 35 Cb 0.05 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.72 1pve h GLN 35 CO 0.00 1.19 0.63 0.82 -2.65 0.00 0.00 178.83 178.83 1pve h ILE 36 N 0.08 1.09 0.00 2.39 2.04 -0.66 -0.35 117.51 122.10 1pve h ILE 36 Ca -0.23 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1pve h ILE 36 Cb 2.03 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1pve h ILE 36 CO 0.18 0.21 0.00 0.61 0.00 0.00 0.00 178.15 179.16 1pve n GLY 37 N -1.36 -0.14 0.18 5.37 0.00 -0.43 -0.30 105.19 108.51 1pve n GLY 37 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1pve n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pve n ARG 38 N -1.04 -0.22 0.00 1.61 5.12 -0.15 -4.50 116.66 117.48 1pve n ARG 38 Ca 0.02 -0.81 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 1pve n ARG 38 Cb 0.01 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1pve n ARG 38 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1pve n GLU 39 N 0.23 2.36 -3.05 5.56 0.28 -0.83 -4.97 120.64 120.22 1pve n GLU 39 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.85 1pve n GLU 39 Cb 0.12 -0.44 -0.03 0.00 1.43 0.00 0.00 31.44 32.52 1pve n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1pve n ASN 40 N -0.27 -1.11 0.20 -1.84 2.85 0.59 -5.01 115.26 110.66 1pve n ASN 40 Ca 0.00 -2.85 0.14 0.00 -0.11 0.00 0.00 54.58 51.75 1pve n ASN 40 Cb 0.00 0.29 0.70 0.00 1.24 0.00 0.00 39.78 42.02 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pve h PRO 41 N 4.29 0.00 0.15 1.20 0.13 -1.76 -0.78 132.00 135.22 1pve h PRO 41 Ca 0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.86 1pve h PRO 41 Cb 0.95 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.11 1pve h PRO 41 CO 0.38 0.00 -1.25 1.96 -0.23 0.00 0.00 178.00 178.86 1pve h GLN 42 N 0.00 0.58 -0.11 0.86 4.20 -1.95 -2.54 115.11 116.15 1pve h GLN 42 Ca 0.00 -0.82 -0.05 0.00 0.06 0.00 0.00 58.65 57.83 1pve h GLN 42 Cb 0.06 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1pve h GLN 42 CO 0.00 1.38 -0.18 1.25 -0.67 0.00 0.00 178.83 180.61 1pve h LEU 43 N 0.18 0.16 0.21 1.46 5.85 -1.66 -2.28 115.31 119.23 1pve h LEU 43 Ca -0.20 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1pve h LEU 43 Cb 1.94 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1pve h LEU 43 CO 0.24 0.36 -0.10 0.25 -0.34 0.00 0.00 178.44 178.85 1pve h LEU 44 N 0.16 -0.24 -1.67 2.25 7.12 -1.18 0.55 115.31 122.31 1pve h LEU 44 Ca 0.03 -0.20 0.10 0.00 0.13 0.00 0.00 57.88 57.94 1pve h LEU 44 Cb 0.42 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 1pve h LEU 44 CO 0.03 0.08 0.39 1.56 -0.13 0.00 0.00 178.44 180.37 1pve h GLN 45 N -0.57 0.36 -0.09 1.25 4.20 -1.47 0.12 115.11 118.91 1pve h GLN 45 Ca -0.03 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1pve h GLN 45 Cb 0.42 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.13 1pve h GLN 45 CO 0.05 0.24 -0.51 1.96 -0.67 0.00 0.00 178.83 179.90 1pve h GLN 46 N 0.37 0.50 -0.96 1.46 4.20 -1.13 -2.17 115.11 117.38 1pve h GLN 46 Ca 0.27 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1pve h GLN 46 Cb 0.55 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1pve h GLN 46 CO -0.07 1.05 0.63 0.82 -0.67 0.00 0.00 178.83 180.60 1pve h ILE 47 N 0.08 1.21 -0.35 2.54 2.04 -0.55 -2.52 117.51 119.95 1pve h ILE 47 Ca -0.04 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 1pve h ILE 47 Cb 1.16 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1pve h ILE 47 CO 0.10 0.23 -0.18 0.28 0.00 0.00 0.00 178.15 178.58 1pve h SER 48 N 1.25 0.65 0.82 1.72 0.02 -0.98 -0.87 113.55 116.17 1pve h SER 48 Ca 0.37 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1pve h SER 48 Cb -0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1pve h SER 48 CO -0.10 0.84 0.00 1.56 -1.14 0.00 0.00 176.83 177.99 1pve h GLN 49 N 0.59 0.00 -0.19 3.45 4.20 -1.06 -3.30 115.11 118.80 1pve h GLN 49 Ca 0.09 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.60 1pve h GLN 49 Cb 0.64 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 28.08 1pve h GLN 49 CO 0.04 0.00 -0.95 0.72 -0.67 0.00 0.00 178.83 177.98 1pve n HIS 50 N -2.30 0.61 0.12 2.96 8.25 -0.92 -4.98 115.22 118.96 1pve n HIS 50 Ca 0.02 -1.28 0.02 0.00 -0.26 0.00 0.00 57.72 56.22 1pve n HIS 50 Cb 0.25 -0.21 0.37 0.00 1.12 0.00 0.00 29.99 31.53 1pve n HIS 50 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1pve h GLN 51 N 1.55 0.24 -0.50 -0.41 5.75 -1.25 -0.87 115.11 119.61 1pve h GLN 51 Ca -0.11 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.25 1pve h GLN 51 Cb 1.54 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.04 1pve h GLN 51 CO 0.17 0.40 0.00 1.49 -2.65 0.00 0.00 178.83 178.24 1pve h GLU 52 N 0.22 0.88 0.00 1.69 4.81 -1.92 -2.01 114.58 118.25 1pve h GLU 52 Ca 0.04 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 1pve h GLU 52 Cb 0.42 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1pve h GLU 52 CO 0.03 0.91 -0.36 0.45 -0.73 0.00 0.00 179.01 179.31 1pve h HIS 53 N 0.74 0.00 -0.05 0.92 3.86 -1.58 -0.14 115.15 118.89 1pve h HIS 53 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1pve h HIS 53 Cb 0.51 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 1pve h HIS 53 CO 0.04 0.36 -0.00 0.35 0.86 0.00 0.00 177.93 179.53 1pve h PHE 54 N 0.00 0.11 -0.86 2.45 3.57 -1.23 -3.24 116.94 117.74 1pve h PHE 54 Ca -0.00 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1pve h PHE 54 Cb 0.67 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1pve h PHE 54 CO 0.00 0.39 0.56 0.82 -2.23 0.00 0.00 178.31 177.85 1pve h ILE 55 N -0.21 1.02 0.00 1.41 2.04 -0.79 0.18 117.51 121.17 1pve h ILE 55 Ca 0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1pve h ILE 55 Cb 0.35 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1pve h ILE 55 CO 0.00 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.33 1pve n GLN 56 N -4.50 0.00 -0.01 2.37 6.02 -0.12 -1.17 117.38 119.97 1pve n GLN 56 Ca 0.13 0.49 -0.03 0.00 -0.01 0.00 0.00 57.00 57.58 1pve n GLN 56 Cb 0.24 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1pve n GLN 56 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1pve n MET 57 N -1.49 0.06 -0.17 -1.09 2.81 -0.18 -4.48 117.12 112.59 1pve n MET 57 Ca 0.00 0.02 0.25 0.00 -1.81 0.00 0.00 57.70 56.17 1pve n MET 57 Cb 0.01 -0.73 0.67 0.00 -0.71 0.00 0.00 33.22 32.46 1pve n MET 57 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1pve h LEU 58 N -0.07 0.10 -2.09 4.03 7.12 -0.68 -2.17 115.31 121.55 1pve h LEU 58 Ca -0.07 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1pve h LEU 58 Cb 1.07 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1pve h LEU 58 CO -0.03 0.04 0.00 -3.20 -0.13 0.00 0.00 178.44 175.11 1pve n ASN 59 N -4.34 3.06 -4.85 1.25 5.15 -0.32 -4.76 115.26 110.44 1pve n ASN 59 Ca 0.17 -1.92 -0.32 0.00 -0.60 0.00 0.00 54.58 51.92 1pve n ASN 59 Cb 0.85 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.94 1pve n ASN 59 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1pve s GLU 60 N -1.57 3.92 -0.07 1.20 -1.05 -0.82 -5.02 118.70 115.28 1pve s GLU 60 Ca 0.30 0.78 -0.33 0.00 -0.15 0.00 0.00 54.97 55.57 1pve s GLU 60 Cb 0.19 -2.25 -0.11 0.00 -0.44 0.00 0.00 34.13 31.52 1pve s GLU 60 CO 0.28 -0.14 1.91 -2.30 0.95 0.00 0.00 175.26 175.96 1pve n PRO 61 N -1.32 2.29 -3.94 -4.83 -0.02 -1.26 -4.97 135.00 120.95 1pve n PRO 61 Ca 0.05 0.84 -0.14 0.00 -2.02 0.00 0.00 63.50 62.22 1pve n PRO 61 Cb 0.54 -2.72 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 1pve n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pve s VAL 62 N 4.26 0.12 0.10 -1.45 0.11 -1.26 -5.15 120.40 117.13 1pve s VAL 62 Ca 0.93 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.91 1pve s VAL 62 Cb -0.64 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1pve s VAL 62 CO 0.50 0.06 0.12 -1.10 -3.33 0.00 0.00 175.10 171.36 1pve s GLN 63 N 0.28 0.87 0.57 1.54 -0.21 -1.26 -4.91 119.66 116.54 1pve s GLN 63 Ca -0.02 -1.18 -0.18 0.00 0.02 0.00 0.00 55.36 54.00 1pve s GLN 63 Cb -0.05 0.29 -0.05 0.00 1.00 0.00 0.00 33.01 34.21 1pve s GLN 63 CO -0.01 -0.26 1.12 -1.21 -2.12 0.00 0.00 175.29 172.82 1pve s GLU 64 N -3.94 3.24 0.10 2.91 2.02 -1.26 -4.91 118.70 116.86 1pve s GLU 64 Ca 0.12 1.55 0.07 0.00 0.02 0.00 0.00 54.97 56.73 1pve s GLU 64 Cb 0.06 -2.00 0.38 0.00 0.10 0.00 0.00 34.13 32.68 1pve s GLU 64 CO -0.06 -0.93 1.22 0.00 0.02 0.00 0.00 175.26 175.51 1pve n ALA 65 N -1.57 1.04 -1.25 5.21 0.00 -1.26 -1.74 120.51 120.94 1pve n ALA 65 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1pve n ALA 65 Cb 0.51 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.88 1pve n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pve n GLY 66 N -1.39 0.25 0.00 0.00 0.00 -1.26 -4.91 105.19 97.88 1pve n GLY 66 Ca -0.00 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1pve n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 67 N -0.27 -0.73 0.18 -0.02 0.00 -0.71 -3.40 105.19 100.23 1pve n GLY 67 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1pve n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLN 68 N -0.93 0.00 -0.01 1.61 0.00 -1.26 -4.94 117.38 111.84 1pve n GLN 68 Ca 0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 57.00 56.49 1pve n GLN 68 Cb 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 30.24 29.83 1pve n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pve n GLY 69 N 0.00 1.85 3.90 2.61 0.00 -1.22 -4.86 105.19 107.47 1pve n GLY 69 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1pve n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pve s GLY 70 N 0.66 -0.21 0.00 -0.02 0.00 -1.26 -5.09 107.32 101.41 1pve s GLY 70 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1pve s GLY 70 CO 0.00 4.47 0.00 0.61 0.00 0.00 0.00 173.10 178.18 1pve n GLY 71 N -0.82 0.21 0.00 0.20 0.00 -1.26 -5.18 105.19 98.34 1pve n GLY 71 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93