#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve s SER 2 N 0.00 0.25 0.17 1.61 0.01 -1.26 -5.19 113.70 109.29 1pve s SER 2 Ca 0.00 -0.97 -0.01 0.00 1.31 0.00 0.00 55.95 56.28 1pve s SER 2 Cb 0.00 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1pve s SER 2 CO 0.00 -0.74 0.08 -1.00 0.41 0.00 0.00 173.24 171.99 1pve s HIS 3 N -3.96 1.04 -0.11 2.43 0.09 -1.26 -5.19 115.29 108.33 1pve s HIS 3 Ca 0.15 -1.27 -0.09 0.00 -0.00 0.00 0.00 55.06 53.84 1pve s HIS 3 Cb 0.06 -0.55 0.03 0.00 -0.00 0.00 0.00 32.58 32.12 1pve s HIS 3 CO -0.04 -0.53 0.29 1.41 -0.00 0.00 0.00 174.74 175.87 1pve s MET 4 N -4.08 0.32 0.97 1.40 -2.45 -1.26 -5.18 119.30 109.01 1pve s MET 4 Ca 0.31 0.44 -0.15 0.00 -1.25 0.00 0.00 55.69 55.04 1pve s MET 4 Cb 0.07 0.11 0.18 0.00 1.25 0.00 0.00 34.83 36.44 1pve s MET 4 CO 0.07 -0.07 1.19 -1.25 1.05 0.00 0.00 175.02 176.01 1pve s PRO 5 N 0.40 0.67 0.00 4.11 0.04 -1.26 -4.42 135.00 134.53 1pve s PRO 5 Ca -0.02 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1pve s PRO 5 Cb -0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1pve s PRO 5 CO -0.02 -2.46 0.00 1.28 0.04 0.00 0.00 177.00 175.84 1pve n LEU 6 N -3.89 0.70 -0.27 -3.56 4.77 -1.26 -4.88 117.00 108.61 1pve n LEU 6 Ca 0.10 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.30 1pve n LEU 6 Cb 0.60 -1.52 0.52 0.00 -2.33 0.00 0.00 43.42 40.69 1pve n LEU 6 CO 0.52 -0.54 1.23 -0.08 -1.33 0.00 0.00 177.39 177.18 1pve h GLU 7 N 0.57 0.37 0.00 3.23 4.57 -2.01 -1.36 114.58 119.95 1pve h GLU 7 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1pve h GLU 7 Cb 0.39 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1pve h GLU 7 CO 0.00 0.24 0.00 1.97 -1.18 0.00 0.00 179.01 180.04 1pve n PHE 8 N -4.53 0.80 0.06 0.92 1.16 -1.26 -2.18 117.46 112.42 1pve n PHE 8 Ca 0.22 0.37 -0.05 0.00 -1.87 0.00 0.00 57.45 56.13 1pve n PHE 8 Cb 0.79 -1.10 -0.09 0.00 -1.61 0.00 0.00 39.48 37.47 1pve n PHE 8 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1pve h LEU 9 N 0.00 0.00 -2.52 5.98 3.38 -1.65 -3.41 115.31 117.08 1pve h LEU 9 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pve h LEU 9 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pve h LEU 9 CO 0.00 0.85 0.05 0.03 0.09 0.00 0.00 178.44 179.46 1pve h ARG 10 N 0.00 0.00 -0.02 1.13 3.08 -1.56 -1.40 114.38 115.61 1pve h ARG 10 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1pve h ARG 10 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1pve h ARG 10 CO 0.10 0.00 -0.09 -1.71 -1.07 0.00 0.00 179.97 177.20 1pve n ASN 11 N -3.64 2.18 -4.79 7.04 5.15 -1.26 -4.81 115.26 115.13 1pve n ASN 11 Ca -0.02 -1.59 -0.36 0.00 -0.60 0.00 0.00 54.58 52.01 1pve n ASN 11 Cb 0.14 0.13 -0.04 0.00 -0.53 0.00 0.00 39.78 39.48 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1pve s GLN 12 N -1.53 4.10 0.41 1.20 -0.21 -0.53 -4.97 119.66 118.14 1pve s GLN 12 Ca 0.18 1.46 0.16 0.00 0.02 0.00 0.00 55.36 57.18 1pve s GLN 12 Cb 0.14 -2.44 1.03 0.00 1.00 0.00 0.00 33.01 32.74 1pve s GLN 12 CO 0.26 -0.19 1.89 -1.35 -2.12 0.00 0.00 175.29 173.78 1pve h PRO 13 N 2.29 0.43 -0.02 2.91 0.11 -1.96 -1.77 132.00 134.01 1pve h PRO 13 Ca -0.49 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1pve h PRO 13 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1pve h PRO 13 CO 0.62 0.29 -0.72 1.96 -0.21 0.00 0.00 178.00 179.93 1pve h GLN 14 N 0.45 0.11 0.00 1.05 4.20 -1.93 -3.24 115.11 115.74 1pve h GLN 14 Ca 0.42 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 1pve h GLN 14 Cb 0.96 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1pve h GLN 14 CO -0.15 0.78 -0.17 0.35 -0.67 0.00 0.00 178.83 178.96 1pve h PHE 15 N 0.07 0.00 0.00 2.96 3.04 -1.58 0.77 116.94 122.20 1pve h PHE 15 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1pve h PHE 15 Cb 1.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1pve h PHE 15 CO 0.01 0.17 0.00 1.04 -2.02 0.00 0.00 178.31 177.52 1pve n GLN 16 N -3.35 0.13 0.00 1.11 1.13 -1.19 -4.38 117.38 110.84 1pve n GLN 16 Ca 0.00 0.32 0.00 0.00 -1.94 0.00 0.00 57.00 55.38 1pve n GLN 16 Cb 0.39 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1pve n GLN 16 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1pve n GLN 17 N -1.98 0.00 -0.08 -1.09 6.02 -0.53 -4.75 117.38 114.98 1pve n GLN 17 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.10 1pve n GLN 17 Cb 0.24 -0.28 0.43 0.00 1.02 0.00 0.00 30.24 31.66 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 0.00 0.54 -0.10 -1.09 -0.00 -1.12 -1.45 114.93 111.71 1pve h MET 18 Ca 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.58 1pve h MET 18 Cb 0.53 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.00 1pve h MET 18 CO 0.00 0.36 -0.36 0.00 -0.00 0.00 0.00 176.91 176.91 1pve h ARG 19 N 0.55 0.19 -0.20 -0.10 3.08 -1.79 -2.45 114.38 113.67 1pve h ARG 19 Ca 0.24 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1pve h ARG 19 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1pve h ARG 19 CO -0.07 0.53 0.12 1.96 -1.07 0.00 0.00 179.97 181.45 1pve h GLN 20 N 0.17 0.27 -0.16 0.04 4.20 -1.55 -0.29 115.11 117.78 1pve h GLN 20 Ca 0.02 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1pve h GLN 20 Cb 0.72 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1pve h GLN 20 CO 0.05 0.19 -0.15 0.82 -0.67 0.00 0.00 178.83 179.08 1pve h ILE 21 N 0.27 1.34 -0.06 2.54 2.04 -1.45 -3.29 117.51 118.91 1pve h ILE 21 Ca 0.07 -1.30 -0.15 0.00 1.00 0.00 0.00 64.86 64.49 1pve h ILE 21 Cb -0.00 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1pve h ILE 21 CO -0.01 0.38 -0.61 0.40 0.00 0.00 0.00 178.15 178.31 1pve h ILE 22 N 0.02 1.39 0.00 -0.67 1.08 -1.31 -0.02 117.51 118.01 1pve h ILE 22 Ca 0.03 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 1pve h ILE 22 Cb 0.68 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 1pve h ILE 22 CO 0.04 0.59 0.00 0.00 -0.69 0.00 0.00 178.15 178.09 1pve n GLN 23 N -3.86 0.10 0.00 2.37 1.13 -0.16 -2.08 117.38 114.88 1pve n GLN 23 Ca -0.02 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1pve n GLN 23 Cb 0.62 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.47 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1pve n GLN 24 N -1.23 1.38 -3.66 -1.09 6.02 -0.99 -4.93 117.38 112.89 1pve n GLN 24 Ca 0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 1pve n GLN 24 Cb 0.04 -0.86 -0.11 0.00 1.02 0.00 0.00 30.24 30.32 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 -3.12 3.24 0.59 1.08 -0.87 -0.06 -4.97 114.94 110.84 1pve s ASN 25 Ca 0.00 -3.36 0.36 0.00 -1.57 0.00 0.00 52.86 48.29 1pve s ASN 25 Cb 0.00 -1.05 1.84 0.00 -0.02 0.00 0.00 41.25 42.02 1pve s ASN 25 CO 0.00 -0.15 2.18 1.55 -2.57 0.00 0.00 177.10 178.11 1pve h PRO 26 N 5.68 0.00 0.00 -0.60 0.13 -1.66 -1.52 132.00 134.03 1pve h PRO 26 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 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 0.03 0.13 0.66 -0.23 0.00 0.00 178.00 179.13 1pve h SER 27 N 0.00 0.00 -0.41 1.44 4.64 -1.93 -2.17 113.55 115.12 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1pve h SER 27 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1pve n LEU 28 N -2.50 3.31 -0.07 5.97 4.77 -0.57 -4.45 117.00 123.47 1pve n LEU 28 Ca -0.02 -1.64 -0.07 0.00 -0.03 0.00 0.00 56.01 54.25 1pve n LEU 28 Cb 0.17 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1pve n LEU 28 CO 0.12 0.75 0.85 0.25 -1.33 0.00 0.00 177.39 178.02 1pve h LEU 29 N 3.76 -0.14 -0.66 2.23 5.85 -1.53 -0.78 115.31 124.05 1pve h LEU 29 Ca 0.00 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1pve h LEU 29 Cb 0.89 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 1pve h LEU 29 CO 0.00 -0.04 0.08 -0.65 -0.34 0.00 0.00 178.44 177.50 1pve h PRO 30 N 0.06 0.19 0.00 5.25 0.11 -1.81 -1.34 132.00 134.46 1pve h PRO 30 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1pve h PRO 30 Cb 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1pve h PRO 30 CO -0.23 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.68 1pve n ALA 31 N -2.72 1.77 -0.13 -0.75 0.00 -0.87 -0.87 120.51 116.95 1pve n ALA 31 Ca 0.11 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1pve n ALA 31 Cb 0.39 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.39 2.84 -0.29 0.00 7.94 -0.35 -3.49 117.00 122.26 1pve n LEU 32 Ca 0.06 -0.07 0.02 0.00 -1.11 0.00 0.00 56.01 54.90 1pve n LEU 32 Cb 0.15 -0.89 0.16 0.00 0.53 0.00 0.00 43.42 43.37 1pve n LEU 32 CO 0.13 0.89 1.14 -0.07 -1.11 0.00 0.00 177.39 178.36 1pve h LEU 33 N -0.13 0.67 -1.75 -1.96 3.38 -1.17 0.09 115.31 114.44 1pve h LEU 33 Ca -0.59 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1pve h LEU 33 Cb 1.85 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1pve h LEU 33 CO -0.13 0.40 0.07 -0.61 0.09 0.00 0.00 178.44 178.25 1pve h GLN 34 N 0.79 0.22 0.10 1.13 5.75 -1.19 -0.37 115.11 121.55 1pve h GLN 34 Ca 0.38 -0.02 -0.27 0.00 -0.15 0.00 0.00 58.65 58.59 1pve h GLN 34 Cb 0.32 -0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.83 1pve h GLN 34 CO -0.23 0.19 -1.18 1.96 -2.65 0.00 0.00 178.83 176.92 1pve h GLN 35 N 0.23 0.38 -0.96 1.69 4.20 -1.12 -2.94 115.11 116.59 1pve h GLN 35 Ca 0.06 -0.55 0.03 0.00 0.06 0.00 0.00 58.65 58.25 1pve h GLN 35 Cb 0.05 0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 1pve h GLN 35 CO -0.01 1.23 0.63 0.82 -0.67 0.00 0.00 178.83 180.83 1pve h ILE 36 N 0.15 1.19 0.00 2.54 2.04 -0.83 -0.12 117.51 122.47 1pve h ILE 36 Ca -0.14 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1pve h ILE 36 Cb 1.87 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1pve h ILE 36 CO 0.20 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1pve n GLY 37 N -1.39 -0.28 0.04 5.37 0.00 -0.17 -0.30 105.19 108.47 1pve n GLY 37 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.24 0.39 0.04 1.61 5.12 -0.39 -4.39 116.66 117.80 1pve n ARG 38 Ca 0.01 0.05 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 1pve n ARG 38 Cb 0.01 -1.17 -0.13 0.00 -1.16 0.00 0.00 32.46 30.00 1pve n ARG 38 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1pve h GLU 39 N 0.00 0.10 -0.86 5.56 5.08 -0.89 -3.42 114.58 120.15 1pve h GLU 39 Ca -0.19 -0.16 -0.31 0.00 -1.00 0.00 0.00 59.36 57.70 1pve h GLU 39 Cb 1.30 0.06 -0.22 0.00 0.50 0.00 0.00 28.75 30.40 1pve h GLU 39 CO -0.03 0.91 -0.66 -1.71 -1.00 0.00 0.00 179.01 176.53 1pve n ASN 40 N -3.31 -2.21 0.29 1.42 2.85 0.59 -5.02 115.26 109.87 1pve n ASN 40 Ca -0.11 -3.01 0.19 0.00 -0.11 0.00 0.00 54.58 51.55 1pve n ASN 40 Cb 1.01 1.11 1.04 0.00 1.24 0.00 0.00 39.78 44.18 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 4.40 0.00 -0.04 1.20 0.13 -1.71 -0.71 132.00 135.28 1pve h PRO 41 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1pve h PRO 41 Cb 1.01 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.14 1pve h PRO 41 CO 0.28 0.00 -0.35 1.96 -0.23 0.00 0.00 178.00 179.67 1pve h GLN 42 N 0.00 0.30 -0.40 0.86 4.20 -1.95 -2.49 115.11 115.64 1pve h GLN 42 Ca 0.00 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1pve h GLN 42 Cb 0.01 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1pve h GLN 42 CO 0.00 0.94 0.24 1.25 -0.67 0.00 0.00 178.83 180.59 1pve h LEU 43 N -0.25 0.47 0.23 1.46 5.85 -1.66 -2.07 115.31 119.34 1pve h LEU 43 Ca -0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1pve h LEU 43 Cb 1.04 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1pve h LEU 43 CO 0.07 0.36 -0.11 0.25 -0.34 0.00 0.00 178.44 178.67 1pve h LEU 44 N 0.55 -0.26 -2.17 2.25 7.12 -1.13 0.16 115.31 121.82 1pve h LEU 44 Ca 0.14 -0.17 0.07 0.00 0.13 0.00 0.00 57.88 58.05 1pve h LEU 44 Cb -0.02 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1pve h LEU 44 CO -0.03 0.03 0.25 1.56 -0.13 0.00 0.00 178.44 180.12 1pve h GLN 45 N -0.56 0.00 0.19 1.25 4.20 -1.38 -0.23 115.11 118.58 1pve h GLN 45 Ca -0.03 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 1pve h GLN 45 Cb 0.41 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.21 1pve h GLN 45 CO 0.05 0.00 -1.39 1.96 -0.67 0.00 0.00 178.83 178.79 1pve h GLN 46 N 0.00 0.40 -0.83 1.46 4.20 -0.96 -3.25 115.11 116.13 1pve h GLN 46 Ca 0.11 -0.68 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 1pve h GLN 46 Cb 0.60 0.25 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 1pve h GLN 46 CO -0.00 1.32 0.40 0.82 -0.67 0.00 0.00 178.83 180.70 1pve h ILE 47 N -0.07 1.26 -0.01 2.54 2.04 -0.15 -2.82 117.51 120.30 1pve h ILE 47 Ca -0.26 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 64.81 1pve h ILE 47 Cb 1.96 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1pve h ILE 47 CO 0.18 0.31 -0.30 0.77 0.00 0.00 0.00 178.15 179.11 1pve h SER 48 N 1.18 0.02 0.64 1.72 4.64 -1.20 0.52 113.55 121.06 1pve h SER 48 Ca 0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1pve h SER 48 Cb 0.12 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1pve h SER 48 CO -0.04 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 1pve n GLN 49 N -4.17 0.03 -0.58 4.77 6.02 -1.08 -3.88 117.38 118.49 1pve n GLN 49 Ca -0.02 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1pve n GLN 49 Cb 0.35 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1pve n GLN 49 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1pve n HIS 50 N -1.60 0.00 0.26 1.08 8.25 -0.57 -4.98 115.22 117.66 1pve n HIS 50 Ca 0.04 -0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1pve n HIS 50 Cb 0.21 -0.05 0.72 0.00 1.12 0.00 0.00 29.99 32.00 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 0.08 0.00 -0.73 -0.41 4.15 -1.05 -0.50 115.11 116.65 1pve h GLN 51 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1pve h GLN 51 Cb 1.43 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.07 1pve h GLN 51 CO 0.01 0.10 0.45 0.93 -1.93 0.00 0.00 178.83 178.38 1pve h GLU 52 N 0.00 0.82 -0.02 1.69 3.07 -1.92 -1.92 114.58 116.31 1pve h GLU 52 Ca -0.00 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.62 1pve h GLU 52 Cb 0.22 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1pve h GLU 52 CO 0.01 0.54 -0.83 0.45 -1.40 0.00 0.00 179.01 177.78 1pve h HIS 53 N 0.85 0.39 -0.27 4.33 3.86 -1.50 -3.25 115.15 119.56 1pve h HIS 53 Ca 0.31 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1pve h HIS 53 Cb 0.09 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1pve h HIS 53 CO -0.05 0.99 0.16 0.35 0.86 0.00 0.00 177.93 180.24 1pve h PHE 54 N 0.16 0.30 -0.47 2.45 3.57 -1.13 -2.70 116.94 119.12 1pve h PHE 54 Ca -0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1pve h PHE 54 Cb 1.44 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 1pve h PHE 54 CO 0.04 0.18 0.31 0.82 -2.23 0.00 0.00 178.31 177.43 1pve h ILE 55 N 0.33 1.02 0.00 1.41 2.04 -1.41 0.14 117.51 121.04 1pve h ILE 55 Ca 0.10 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1pve h ILE 55 Cb -0.01 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1pve h ILE 55 CO -0.05 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1pve n GLN 56 N -4.48 0.07 -0.00 2.37 1.13 -1.02 -1.43 117.38 114.03 1pve n GLN 56 Ca 0.05 0.26 -0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1pve n GLN 56 Cb 0.18 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.03 1pve n GLN 56 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1pve n MET 57 N -1.40 0.00 -0.15 -1.09 2.81 -0.36 -4.56 117.12 112.37 1pve n MET 57 Ca 0.04 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1pve n MET 57 Cb 0.11 -0.95 0.05 0.00 -0.71 0.00 0.00 33.22 31.72 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 -0.00 -0.10 -1.38 4.03 7.12 -0.82 -3.23 115.31 120.93 1pve h LEU 58 Ca -0.00 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1pve h LEU 58 Cb 1.00 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1pve h LEU 58 CO -0.00 -0.02 0.00 -3.20 -0.13 0.00 0.00 178.44 175.09 1pve n ASN 59 N -5.17 2.07 -4.70 1.25 5.15 -0.51 -4.82 115.26 108.53 1pve n ASN 59 Ca 0.05 -1.81 -0.31 0.00 -0.60 0.00 0.00 54.58 51.91 1pve n ASN 59 Cb 0.24 -0.16 0.14 0.00 -0.53 0.00 0.00 39.78 39.48 1pve n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1pve s GLU 60 N -1.68 1.36 0.89 1.20 0.41 -1.22 -5.03 118.70 114.63 1pve s GLU 60 Ca 0.32 1.30 -0.14 0.00 -0.41 0.00 0.00 54.97 56.04 1pve s GLU 60 Cb 0.18 -1.78 -0.00 0.00 -1.78 0.00 0.00 34.13 30.74 1pve s GLU 60 CO 0.26 -2.31 0.32 -2.30 -0.49 0.00 0.00 175.26 170.74 1pve n PRO 61 N -3.99 -0.11 0.00 0.39 -0.02 -1.26 -4.99 135.00 125.02 1pve n PRO 61 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1pve n PRO 61 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1pve n PRO 61 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1pve n VAL 62 N -3.18 0.00 -3.87 -1.45 0.24 -1.26 -5.07 118.33 103.74 1pve n VAL 62 Ca 0.07 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 1pve n VAL 62 Cb 0.53 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.39 1pve n VAL 62 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1pve s GLN 63 N -1.39 0.85 0.04 7.34 -0.21 -1.26 -5.08 119.66 119.95 1pve s GLN 63 Ca 0.00 -0.98 -0.03 0.00 0.02 0.00 0.00 55.36 54.37 1pve s GLN 63 Cb 0.00 0.34 -0.02 0.00 1.00 0.00 0.00 33.01 34.33 1pve s GLN 63 CO 0.00 -0.27 0.03 -1.21 -2.12 0.00 0.00 175.29 171.72 1pve s GLU 64 N -3.87 0.52 0.45 2.91 2.02 -1.26 -5.06 118.70 114.41 1pve s GLU 64 Ca 0.06 -0.84 0.30 0.00 0.02 0.00 0.00 54.97 54.51 1pve s GLU 64 Cb 0.05 0.19 1.26 0.00 0.10 0.00 0.00 34.13 35.73 1pve s GLU 64 CO -0.10 -0.11 1.90 0.00 0.02 0.00 0.00 175.26 176.96 1pve h ALA 65 N 3.79 1.00 0.00 5.21 0.00 -2.01 -3.45 119.26 123.80 1pve h ALA 65 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1pve h ALA 65 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pve h ALA 65 CO 0.52 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1pve n GLY 66 N -0.01 0.54 0.17 0.00 0.00 -1.26 -5.00 105.19 99.63 1pve n GLY 66 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.52 0.04 -0.02 0.00 -1.26 -5.06 105.19 99.40 1pve n GLY 67 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1pve n GLY 67 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pve n GLN 68 N -0.04 2.11 -0.32 1.61 6.02 -1.26 -4.68 117.38 120.81 1pve n GLN 68 Ca 0.00 -1.60 0.01 0.00 -0.01 0.00 0.00 57.00 55.40 1pve n GLN 68 Cb 0.02 -1.03 0.01 0.00 1.02 0.00 0.00 30.24 30.26 1pve n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pve n GLY 69 N -0.63 0.06 0.00 1.08 0.00 -1.26 -5.12 105.19 99.31 1pve n GLY 69 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1pve n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 70 N -0.13 0.22 0.00 -0.02 0.00 -1.26 -5.09 105.19 98.90 1pve n GLY 70 Ca 0.01 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1pve n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pve n GLY 71 N -0.26 0.47 0.00 -0.02 0.00 -1.26 -4.39 105.19 99.74 1pve n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93