#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 0.73 0.03 1.61 0.01 -1.26 -3.29 113.70 111.52 1pve s SER 2 Ca 0.00 -0.35 0.13 0.00 1.31 0.00 0.00 55.95 57.04 1pve s SER 2 Cb 0.00 -0.00 0.57 0.00 0.21 0.00 0.00 66.02 66.79 1pve s SER 2 CO 0.00 -0.09 1.42 1.41 0.41 0.00 0.00 173.24 176.38 1pve n HIS 3 N 2.10 0.08 -3.75 2.43 8.25 -1.26 -4.96 115.22 118.10 1pve n HIS 3 Ca -0.19 0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.19 1pve n HIS 3 Cb 0.56 -0.55 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 1pve n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pve s MET 4 N -3.03 0.82 1.03 -0.41 0.00 -1.24 -5.18 119.30 111.29 1pve s MET 4 Ca 0.06 -0.54 -0.15 0.00 0.00 0.00 0.00 55.69 55.06 1pve s MET 4 Cb 0.08 0.35 0.21 0.00 0.00 0.00 0.00 34.83 35.47 1pve s MET 4 CO 0.24 -0.27 1.14 -1.25 0.00 0.00 0.00 175.02 174.88 1pve s PRO 5 N -2.68 0.15 -1.65 3.16 0.04 -1.21 -4.39 135.00 128.43 1pve s PRO 5 Ca -0.04 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1pve s PRO 5 Cb -0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1pve s PRO 5 CO -0.04 -2.84 0.00 1.28 0.04 0.00 0.00 177.00 175.44 1pve n LEU 6 N -4.18 -1.43 0.28 -3.56 4.77 -1.26 -4.87 117.00 106.74 1pve n LEU 6 Ca 0.09 0.25 0.18 0.00 -0.03 0.00 0.00 56.01 56.50 1pve n LEU 6 Cb 0.59 -2.53 0.90 0.00 -2.33 0.00 0.00 43.42 40.06 1pve n LEU 6 CO 0.52 -0.54 1.15 1.05 -1.33 0.00 0.00 177.39 178.25 1pve h GLU 7 N 0.00 0.00 -0.62 3.23 4.11 -2.01 -1.47 114.58 117.82 1pve h GLU 7 Ca -0.38 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.19 1pve h GLU 7 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1pve h GLU 7 CO 0.50 0.00 0.42 0.74 0.07 0.00 0.00 179.01 180.74 1pve h PHE 8 N 0.00 0.26 0.00 2.06 0.04 -1.97 -1.64 116.94 115.70 1pve h PHE 8 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1pve h PHE 8 Cb 0.52 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1pve h PHE 8 CO 0.00 0.11 0.00 1.28 -0.60 0.00 0.00 178.31 179.10 1pve n LEU 9 N -4.44 0.48 -0.97 1.54 4.77 -0.55 -0.81 117.00 117.02 1pve n LEU 9 Ca 0.11 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.82 1pve n LEU 9 Cb 0.52 -0.57 0.26 0.00 -2.33 0.00 0.00 43.42 41.30 1pve n LEU 9 CO 0.35 -0.51 0.72 0.54 -1.33 0.00 0.00 177.39 177.16 1pve n ARG 10 N -2.04 2.24 0.00 3.23 1.74 -0.62 -4.41 116.66 116.81 1pve n ARG 10 Ca 0.02 -1.90 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 1pve n ARG 10 Cb 0.19 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1pve n ARG 10 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pve n ASN 11 N 1.07 2.33 -4.76 0.55 5.15 -0.63 -5.06 115.26 113.91 1pve n ASN 11 Ca 0.18 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.78 1pve n ASN 11 Cb 0.48 0.12 0.02 0.00 -0.53 0.00 0.00 39.78 39.86 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 3.54 0.39 1.20 -1.52 0.01 -4.97 119.66 116.78 1pve s GLN 12 Ca 0.00 2.18 0.21 0.00 -1.95 0.00 0.00 55.36 55.80 1pve s GLN 12 Cb 0.00 -2.48 0.53 0.00 -0.22 0.00 0.00 33.01 30.84 1pve s GLN 12 CO 0.00 -0.85 1.66 -1.00 -0.25 0.00 0.00 175.29 174.84 1pve h PRO 13 N 2.00 0.00 -0.58 2.91 0.13 -1.91 -3.37 132.00 131.18 1pve h PRO 13 Ca -0.50 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.76 1pve h PRO 13 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1pve h PRO 13 CO 0.60 0.27 0.40 -0.56 -0.23 0.00 0.00 178.00 178.48 1pve h GLN 14 N 0.00 0.19 0.00 0.86 3.07 -1.93 -2.93 115.11 114.37 1pve h GLN 14 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1pve h GLN 14 Cb 1.01 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.53 1pve h GLN 14 CO 0.04 0.12 -0.03 0.27 0.09 0.00 0.00 178.83 179.32 1pve h PHE 15 N 0.19 0.00 0.00 0.06 -0.00 -1.83 -0.90 116.94 114.46 1pve h PHE 15 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.25 1pve h PHE 15 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.77 1pve h PHE 15 CO -0.00 0.03 0.00 0.94 -0.00 0.00 0.00 178.31 179.28 1pve n GLN 16 N -4.20 0.16 0.00 6.09 -0.06 -1.11 -4.13 117.38 114.14 1pve n GLN 16 Ca -0.03 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 1pve n GLN 16 Cb 0.11 -1.76 0.00 0.00 -4.06 0.00 0.00 30.24 24.54 1pve n GLN 16 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1pve n GLN 17 N -2.05 0.00 -0.01 3.69 6.02 -0.66 -4.76 117.38 119.62 1pve n GLN 17 Ca 0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.04 1pve n GLN 17 Cb 0.27 -0.58 0.35 0.00 1.02 0.00 0.00 30.24 31.29 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 0.00 -1.09 -0.00 -1.38 -1.76 114.93 111.24 1pve h MET 18 Ca 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 59.70 59.59 1pve h MET 18 Cb 0.79 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.28 1pve h MET 18 CO 0.00 0.48 -0.17 0.00 -0.00 0.00 0.00 176.91 177.22 1pve h ARG 19 N 0.54 0.00 -0.01 -0.10 3.08 -1.81 -2.01 114.38 114.07 1pve h ARG 19 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1pve h ARG 19 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1pve h ARG 19 CO -0.01 0.17 -0.28 1.96 -1.07 0.00 0.00 179.97 180.74 1pve h GLN 20 N 0.00 0.02 -0.16 0.04 4.20 -1.61 -2.61 115.11 114.99 1pve h GLN 20 Ca -0.00 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1pve h GLN 20 Cb 0.70 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1pve h GLN 20 CO 0.02 0.30 -0.36 0.82 -0.67 0.00 0.00 178.83 178.94 1pve h ILE 21 N 0.02 1.35 0.07 2.54 2.04 -1.36 -3.35 117.51 118.81 1pve h ILE 21 Ca 0.00 -1.62 -0.26 0.00 1.00 0.00 0.00 64.86 63.99 1pve h ILE 21 Cb 0.50 1.98 0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1pve h ILE 21 CO 0.04 0.49 -1.10 0.40 0.00 0.00 0.00 178.15 177.98 1pve h ILE 22 N 0.15 1.40 0.00 -0.67 1.08 -1.46 -0.20 117.51 117.81 1pve h ILE 22 Ca 0.00 -2.61 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 1pve h ILE 22 Cb 0.96 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1pve h ILE 22 CO 0.08 0.78 0.00 0.00 -0.69 0.00 0.00 178.15 178.32 1pve n GLN 23 N -3.70 0.10 -0.05 2.37 10.64 -0.99 -1.62 117.38 124.12 1pve n GLN 23 Ca -0.09 0.39 -0.06 0.00 -1.83 0.00 0.00 57.00 55.41 1pve n GLN 23 Cb 0.92 -1.70 -0.05 0.00 -0.86 0.00 0.00 30.24 28.55 1pve n GLN 23 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1pve n GLN 24 N -1.89 1.06 -3.64 2.61 6.02 -1.20 -4.88 117.38 115.46 1pve n GLN 24 Ca 0.02 0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 1pve n GLN 24 Cb 0.16 -1.21 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 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 -4.68 3.11 0.47 1.08 -0.87 -0.09 -4.97 114.94 108.99 1pve s ASN 25 Ca -0.11 -3.36 0.32 0.00 -1.57 0.00 0.00 52.86 48.15 1pve s ASN 25 Cb 0.03 -1.00 1.49 0.00 -0.02 0.00 0.00 41.25 41.74 1pve s ASN 25 CO 0.27 -0.14 1.96 1.55 -2.57 0.00 0.00 177.10 178.17 1pve h PRO 26 N 5.65 0.00 0.00 -0.60 0.13 -1.53 -1.45 132.00 134.20 1pve h PRO 26 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 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 0.53 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.15 1pve h SER 27 N 0.00 0.00 -0.41 1.44 4.64 -1.93 -1.98 113.55 115.31 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 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 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 -2.85 3.42 -0.02 5.97 4.77 -0.55 -4.42 117.00 123.31 1pve n LEU 28 Ca -0.02 -1.58 -0.09 0.00 -0.03 0.00 0.00 56.01 54.29 1pve n LEU 28 Cb 0.24 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1pve n LEU 28 CO 0.15 0.76 0.82 0.25 -1.33 0.00 0.00 177.39 178.04 1pve h LEU 29 N 4.15 -0.21 -0.83 2.23 5.85 -1.50 -1.01 115.31 124.00 1pve h LEU 29 Ca 0.00 0.06 0.18 0.00 0.84 0.00 0.00 57.88 58.96 1pve h LEU 29 Cb 0.94 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1pve h LEU 29 CO 0.00 -0.08 0.34 -0.65 -0.34 0.00 0.00 178.44 177.71 1pve h PRO 30 N -0.03 0.41 0.00 5.25 0.11 -1.80 -0.99 132.00 134.96 1pve h PRO 30 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1pve h PRO 30 Cb 0.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1pve h PRO 30 CO -0.19 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 177.88 1pve n ALA 31 N -2.52 1.76 -0.10 -0.75 0.00 -0.90 -1.48 120.51 116.52 1pve n ALA 31 Ca 0.18 0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1pve n ALA 31 Cb 0.53 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.03 2.88 -0.08 0.00 7.94 -0.43 -3.43 117.00 121.85 1pve n LEU 32 Ca 0.03 -0.05 -0.07 0.00 -1.11 0.00 0.00 56.01 54.82 1pve n LEU 32 Cb 0.24 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.24 1pve n LEU 32 CO 0.20 0.91 0.90 -0.07 -1.11 0.00 0.00 177.39 178.22 1pve h LEU 33 N -0.00 0.02 -1.48 -1.96 3.38 -1.18 0.93 115.31 115.01 1pve h LEU 33 Ca -0.54 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1pve h LEU 33 Cb 1.92 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1pve h LEU 33 CO -0.05 0.05 0.00 0.06 0.09 0.00 0.00 178.44 178.58 1pve h GLN 34 N 0.18 0.00 0.16 1.13 3.07 -1.45 -1.34 115.11 116.85 1pve h GLN 34 Ca 0.14 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.59 1pve h GLN 34 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.73 1pve h GLN 34 CO -0.19 0.00 -1.35 0.37 0.09 0.00 0.00 178.83 177.76 1pve h GLN 35 N 0.00 0.34 -0.66 0.06 4.15 -1.33 -3.09 115.11 114.59 1pve h GLN 35 Ca 0.00 -0.58 -0.01 0.00 0.77 0.00 0.00 58.65 58.83 1pve h GLN 35 Cb 0.48 0.22 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1pve h GLN 35 CO 0.00 1.27 0.39 0.82 -1.93 0.00 0.00 178.83 179.38 1pve h ILE 36 N 0.09 1.19 0.00 2.39 2.04 -0.60 -0.80 117.51 121.82 1pve h ILE 36 Ca -0.18 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1pve h ILE 36 Cb 2.03 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1pve h ILE 36 CO 0.22 0.20 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1pve n GLY 37 N -1.30 -0.67 0.13 5.37 0.00 -0.53 -0.18 105.19 108.01 1pve n GLY 37 Ca 0.07 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.85 0.62 0.11 1.61 1.74 -0.40 -4.24 116.66 114.25 1pve n ARG 38 Ca -0.01 0.31 -0.17 0.00 -0.77 0.00 0.00 57.85 57.22 1pve n ARG 38 Cb 0.02 -1.59 -0.14 0.00 -1.02 0.00 0.00 32.46 29.73 1pve n ARG 38 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1pve h GLU 39 N -0.65 0.30 -0.88 5.56 4.39 -0.96 -3.42 114.58 118.91 1pve h GLU 39 Ca -0.56 -0.51 -0.28 0.00 0.34 0.00 0.00 59.36 58.35 1pve h GLU 39 Cb 1.66 0.19 -0.21 0.00 -0.10 0.00 0.00 28.75 30.29 1pve h GLU 39 CO -0.24 1.24 -0.62 -1.71 -1.16 0.00 0.00 179.01 176.51 1pve n ASN 40 N -3.54 -2.45 0.28 1.42 2.85 0.75 -5.03 115.26 109.54 1pve n ASN 40 Ca -0.10 -2.98 0.18 0.00 -0.11 0.00 0.00 54.58 51.57 1pve n ASN 40 Cb 1.03 1.23 0.96 0.00 1.24 0.00 0.00 39.78 44.24 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 4.55 0.00 0.15 1.20 0.13 -1.69 -0.71 132.00 135.63 1pve h PRO 41 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1pve h PRO 41 Cb 1.03 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.19 1pve h PRO 41 CO 0.24 0.00 -1.31 1.96 -0.23 0.00 0.00 178.00 178.66 1pve h GLN 42 N 0.00 0.61 -0.11 0.86 4.20 -1.94 -2.39 115.11 116.34 1pve h GLN 42 Ca 0.00 -0.86 -0.05 0.00 0.06 0.00 0.00 58.65 57.79 1pve h GLN 42 Cb 0.11 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1pve h GLN 42 CO 0.00 1.40 -0.17 1.25 -0.67 0.00 0.00 178.83 180.64 1pve h LEU 43 N 0.25 0.17 0.26 1.46 5.85 -1.63 -2.37 115.31 119.31 1pve h LEU 43 Ca -0.21 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1pve h LEU 43 Cb 1.98 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1pve h LEU 43 CO 0.25 0.37 -0.13 0.25 -0.34 0.00 0.00 178.44 178.84 1pve h LEU 44 N 0.17 -0.30 -1.39 2.25 7.12 -1.14 0.92 115.31 122.94 1pve h LEU 44 Ca 0.03 -0.20 0.16 0.00 0.13 0.00 0.00 57.88 58.01 1pve h LEU 44 Cb 0.42 0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.56 1pve h LEU 44 CO 0.03 0.06 0.57 1.56 -0.13 0.00 0.00 178.44 180.52 1pve h GLN 45 N -0.69 0.55 -0.28 1.25 4.20 -1.47 -0.64 115.11 118.02 1pve h GLN 45 Ca -0.04 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 1pve h GLN 45 Cb 0.48 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1pve h GLN 45 CO 0.06 0.36 -0.54 1.96 -0.67 0.00 0.00 178.83 180.00 1pve h GLN 46 N 0.56 0.86 -0.57 1.46 4.20 -1.18 -2.59 115.11 117.85 1pve h GLN 46 Ca 0.44 -0.55 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 46 Cb 0.87 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1pve h GLN 46 CO -0.19 1.19 0.38 0.82 -0.67 0.00 0.00 178.83 180.36 1pve h ILE 47 N 0.64 1.11 -0.15 2.54 2.04 0.01 -1.50 117.51 122.20 1pve h ILE 47 Ca 0.01 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1pve h ILE 47 Cb 1.16 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1pve h ILE 47 CO 0.12 0.13 -0.26 0.28 0.00 0.00 0.00 178.15 178.42 1pve h SER 48 N 0.72 0.27 1.34 1.72 0.02 -1.01 -0.40 113.55 116.20 1pve h SER 48 Ca 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1pve h SER 48 Cb -0.01 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1pve h SER 48 CO -0.05 0.54 0.00 1.56 -1.14 0.00 0.00 176.83 177.74 1pve h GLN 49 N 0.25 0.00 -0.07 3.45 4.20 -0.93 -3.36 115.11 118.65 1pve h GLN 49 Ca 0.04 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 1pve h GLN 49 Cb 0.60 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.04 1pve h GLN 49 CO 0.04 0.00 -0.98 0.72 -0.67 0.00 0.00 178.83 177.95 1pve n HIS 50 N -2.43 0.21 -0.02 2.96 8.25 -0.65 -4.98 115.22 118.56 1pve n HIS 50 Ca 0.04 -0.86 0.02 0.00 -0.26 0.00 0.00 57.72 56.67 1pve n HIS 50 Cb 0.39 -0.18 0.36 0.00 1.12 0.00 0.00 29.99 31.68 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 1.21 0.58 -0.41 -0.41 4.15 -1.24 -0.74 115.11 118.25 1pve h GLN 51 Ca -0.18 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1pve h GLN 51 Cb 1.70 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 1pve h GLN 51 CO 0.11 0.45 -0.08 0.93 -1.93 0.00 0.00 178.83 178.31 1pve h GLU 52 N 0.58 0.71 -0.39 1.69 5.08 -1.94 -0.57 114.58 119.75 1pve h GLU 52 Ca 0.15 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1pve h GLU 52 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pve h GLU 52 CO -0.02 0.78 -0.37 1.25 -1.00 0.00 0.00 179.01 179.65 1pve h HIS 53 N 0.65 1.10 -0.25 4.33 2.76 -1.56 -1.42 115.15 120.76 1pve h HIS 53 Ca 0.12 -0.32 0.01 0.00 -2.20 0.00 0.00 60.37 57.97 1pve h HIS 53 Cb 0.53 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1pve h HIS 53 CO 0.02 1.15 0.16 0.35 -1.30 0.00 0.00 177.93 178.31 1pve h PHE 54 N 0.76 0.30 -0.48 5.26 3.57 -1.16 -0.42 116.94 124.77 1pve h PHE 54 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1pve h PHE 54 Cb 0.96 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1pve h PHE 54 CO 0.06 0.19 0.32 0.82 -2.23 0.00 0.00 178.31 177.47 1pve h ILE 55 N 0.33 1.08 -0.16 1.41 2.04 -1.02 0.87 117.51 122.07 1pve h ILE 55 Ca 0.10 -0.20 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 1pve h ILE 55 Cb -0.03 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1pve h ILE 55 CO -0.03 0.11 -0.58 1.56 0.00 0.00 0.00 178.15 179.20 1pve h GLN 56 N 0.60 0.68 -0.03 2.37 1.08 -0.92 -1.64 115.11 117.24 1pve h GLN 56 Ca 0.19 -0.52 -0.03 0.00 -1.45 0.00 0.00 58.65 56.84 1pve h GLN 56 Cb 0.02 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1pve h GLN 56 CO -0.04 1.14 -0.14 0.52 -0.95 0.00 0.00 178.83 179.36 1pve h MET 57 N 0.36 0.05 -0.41 1.46 2.86 -0.67 -1.28 114.93 117.31 1pve h MET 57 Ca -0.03 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1pve h MET 57 Cb 1.21 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1pve h MET 57 CO 0.12 0.19 -0.02 -0.07 1.06 0.00 0.00 176.91 178.19 1pve h LEU 58 N 0.05 0.64 -0.20 1.22 3.38 -0.77 -3.15 115.31 116.47 1pve h LEU 58 Ca 0.01 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1pve h LEU 58 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1pve h LEU 58 CO 0.02 0.72 -0.55 0.78 0.09 0.00 0.00 178.44 179.50 1pve h ASN 59 N 0.63 0.00 -4.18 -0.43 2.35 -0.39 -3.46 115.58 110.10 1pve h ASN 59 Ca 0.12 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.33 1pve h ASN 59 Cb 0.43 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.97 1pve h ASN 59 CO 0.02 0.55 0.39 -1.61 -1.65 0.00 0.00 177.43 175.13 1pve s GLU 60 N -3.06 1.89 0.87 0.81 2.02 -0.57 -5.03 118.70 115.63 1pve s GLU 60 Ca 0.03 1.85 -0.12 0.00 0.02 0.00 0.00 54.97 56.75 1pve s GLU 60 Cb 0.09 -1.79 0.11 0.00 0.10 0.00 0.00 34.13 32.63 1pve s GLU 60 CO 0.74 -2.04 1.11 -1.25 0.02 0.00 0.00 175.26 173.84 1pve s PRO 61 N -3.92 1.50 0.50 0.39 0.04 -1.26 -5.01 135.00 127.24 1pve s PRO 61 Ca 0.76 0.52 0.07 0.00 0.04 0.00 0.00 61.00 62.38 1pve s PRO 61 Cb -0.31 -1.86 0.04 0.00 0.04 0.00 0.00 34.50 32.41 1pve s PRO 61 CO 0.47 -2.00 0.69 0.14 0.04 0.00 0.00 177.00 176.34 1pve s VAL 62 N -3.16 2.68 0.17 -0.36 -7.23 -1.26 -5.08 120.40 106.16 1pve s VAL 62 Ca 0.63 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1pve s VAL 62 Cb -0.15 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 1pve s VAL 62 CO 0.54 0.00 -0.05 -1.10 -0.31 0.00 0.00 175.10 174.18 1pve s GLN 63 N -4.55 1.14 0.32 4.82 -0.21 -1.26 -5.17 119.66 114.75 1pve s GLN 63 Ca 0.58 -1.53 -0.05 0.00 0.02 0.00 0.00 55.36 54.39 1pve s GLN 63 Cb -0.09 -0.54 0.00 0.00 1.00 0.00 0.00 33.01 33.38 1pve s GLN 63 CO 0.36 -0.02 0.46 -1.83 -2.12 0.00 0.00 175.29 172.15 1pve s GLU 64 N -3.81 1.82 -0.05 2.91 4.04 -1.26 -5.04 118.70 117.30 1pve s GLU 64 Ca 0.21 -1.65 0.14 0.00 0.04 0.00 0.00 54.97 53.71 1pve s GLU 64 Cb 0.04 0.44 0.27 0.00 0.02 0.00 0.00 34.13 34.91 1pve s GLU 64 CO 0.03 -0.75 1.12 0.00 -1.84 0.00 0.00 175.26 173.82 1pve n ALA 65 N -0.51 2.44 0.39 -0.84 0.00 -1.26 -4.80 120.51 115.92 1pve n ALA 65 Ca 0.00 -2.11 0.05 0.00 0.00 0.00 0.00 53.44 51.38 1pve n ALA 65 Cb 0.62 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.17 -0.04 0.00 0.00 0.00 -1.26 -5.08 105.19 98.64 1pve n GLY 66 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.36 2.72 0.00 -0.02 0.00 -1.26 -5.08 105.19 102.91 1pve n GLY 67 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.09 0.00 1.61 6.02 -1.26 -5.01 117.38 118.64 1pve n GLN 68 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.62 1pve n GLN 68 Cb 0.00 -0.72 0.00 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.04 -0.87 0.00 1.08 0.00 -1.26 -5.10 105.19 98.99 1pve n GLY 69 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.40 0.40 0.00 -0.02 0.00 -1.26 -5.16 105.19 98.76 1pve n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.25 0.00 -0.02 0.00 -1.26 -5.32 105.19 97.34 1pve n GLY 71 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93