#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 0.00 0.00 1.61 2.88 -1.26 -5.02 113.62 111.83 1pve n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pve n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1pve n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pve n HIS 3 N -0.62 0.00 -3.87 0.66 -0.00 -1.26 -5.16 115.22 104.98 1pve n HIS 3 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1pve n HIS 3 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 29.90 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 -0.22 0.62 0.00 -1.40 1.00 -1.26 -5.05 119.30 112.99 1pve s MET 4 Ca 0.00 -0.58 0.20 0.00 0.00 0.00 0.00 55.69 55.31 1pve s MET 4 Cb 0.00 0.25 0.94 0.00 0.00 0.00 0.00 34.83 36.03 1pve s MET 4 CO 0.00 -0.17 1.63 -0.35 0.00 0.00 0.00 175.02 176.14 1pve n PRO 5 N 0.92 0.17 -0.29 2.03 -0.04 -1.26 -3.39 135.00 133.14 1pve n PRO 5 Ca -0.20 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 1pve n PRO 5 Cb 0.58 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.38 1.12 0.09 1.53 4.77 -1.26 -4.85 117.00 117.03 1pve n LEU 6 Ca 0.08 -1.99 0.05 0.00 -0.03 0.00 0.00 56.01 54.12 1pve n LEU 6 Cb 0.19 -0.20 0.29 0.00 -2.33 0.00 0.00 43.42 41.36 1pve n LEU 6 CO 0.17 0.47 0.67 -1.84 -1.33 0.00 0.00 177.39 175.53 1pve n GLU 7 N -0.68 0.07 0.21 3.23 0.28 -1.22 -1.16 120.64 121.36 1pve n GLU 7 Ca 0.08 0.55 0.15 0.00 -0.16 0.00 0.00 57.16 57.77 1pve n GLU 7 Cb 0.67 -1.78 0.72 0.00 1.43 0.00 0.00 31.44 32.48 1pve n GLU 7 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1pve h PHE 8 N 0.00 0.00 -0.52 -1.84 3.57 -1.89 -1.87 116.94 114.39 1pve h PHE 8 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pve h PHE 8 Cb 0.11 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1pve h PHE 8 CO 0.00 0.00 0.30 -0.07 -2.23 0.00 0.00 178.31 176.31 1pve h LEU 9 N 0.00 0.64 -2.72 0.59 3.38 -1.56 -3.15 115.31 112.49 1pve h LEU 9 Ca 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1pve h LEU 9 Cb 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1pve h LEU 9 CO 0.00 0.53 -0.01 0.03 0.09 0.00 0.00 178.44 179.09 1pve h ARG 10 N 0.70 0.00 0.00 1.13 3.08 -1.54 -1.12 114.38 116.63 1pve h ARG 10 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1pve h ARG 10 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1pve h ARG 10 CO -0.03 0.01 -0.05 -0.97 -1.07 0.00 0.00 179.97 177.85 1pve h ASN 11 N 0.00 0.00 -4.23 7.04 -1.24 -1.64 -3.48 115.58 112.03 1pve h ASN 11 Ca -0.00 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 1pve h ASN 11 Cb 0.04 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.12 1pve h ASN 11 CO 0.00 0.05 0.39 -1.10 -1.29 0.00 0.00 177.43 175.48 1pve s GLN 12 N -3.26 3.79 0.00 6.67 -1.52 -0.43 -4.99 119.66 119.93 1pve s GLN 12 Ca 0.06 0.94 0.30 0.00 -1.95 0.00 0.00 55.36 54.70 1pve s GLN 12 Cb 0.06 -2.11 1.46 0.00 -0.22 0.00 0.00 33.01 32.19 1pve s GLN 12 CO 0.66 -0.41 2.02 -0.35 -0.25 0.00 0.00 175.29 176.96 1pve n PRO 13 N -1.91 0.36 0.00 2.91 -0.04 -1.26 -4.31 135.00 130.74 1pve n PRO 13 Ca 0.07 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1pve n PRO 13 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1pve n PRO 13 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pve n GLN 14 N -1.32 0.19 0.30 0.54 1.13 -1.26 -4.82 117.38 112.14 1pve n GLN 14 Ca 0.13 -0.39 0.18 0.00 -1.94 0.00 0.00 57.00 54.98 1pve n GLN 14 Cb 0.25 -0.60 0.91 0.00 0.11 0.00 0.00 30.24 30.92 1pve n GLN 14 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1pve h PHE 15 N 0.00 0.00 0.00 1.08 -0.00 -1.82 -0.46 116.94 115.74 1pve h PHE 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1pve h PHE 15 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.60 1pve h PHE 15 CO 0.00 0.03 0.00 1.04 -0.00 0.00 0.00 178.31 179.38 1pve n GLN 16 N -3.23 0.11 0.00 6.09 6.02 -1.26 -4.42 117.38 120.68 1pve n GLN 16 Ca -0.01 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1pve n GLN 16 Cb 0.19 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.82 1pve n GLN 16 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1pve n GLN 17 N -1.82 0.00 0.12 -1.09 6.02 -0.32 -4.70 117.38 115.59 1pve n GLN 17 Ca 0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.15 1pve n GLN 17 Cb 0.35 -0.89 0.60 0.00 1.02 0.00 0.00 30.24 31.32 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 0.14 -0.01 -1.09 -0.00 -1.39 -1.67 114.93 110.91 1pve h MET 18 Ca 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 59.70 59.56 1pve h MET 18 Cb 0.88 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 32.43 1pve h MET 18 CO 0.00 0.09 -0.61 0.00 -0.00 0.00 0.00 176.91 176.39 1pve h ARG 19 N 0.14 0.04 -0.29 -0.10 3.08 -1.82 -2.84 114.38 112.59 1pve h ARG 19 Ca 0.11 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1pve h ARG 19 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1pve h ARG 19 CO -0.02 0.64 0.12 1.96 -1.07 0.00 0.00 179.97 181.60 1pve h GLN 20 N 0.03 0.40 -0.51 0.04 4.20 -1.58 -0.15 115.11 117.54 1pve h GLN 20 Ca -0.01 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1pve h GLN 20 Cb 1.09 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1pve h GLN 20 CO 0.08 0.34 -0.11 0.82 -0.67 0.00 0.00 178.83 179.29 1pve h ILE 21 N 0.41 1.27 -0.06 2.54 2.04 -1.50 -3.19 117.51 119.02 1pve h ILE 21 Ca 0.10 -1.25 -0.21 0.00 1.00 0.00 0.00 64.86 64.50 1pve h ILE 21 Cb 0.08 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1pve h ILE 21 CO -0.01 0.44 -0.84 0.40 0.00 0.00 0.00 178.15 178.14 1pve h ILE 22 N 0.84 1.35 0.00 -0.67 1.08 -1.36 -0.38 117.51 118.37 1pve h ILE 22 Ca 0.13 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.39 1pve h ILE 22 Cb 0.67 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 36.62 1pve h ILE 22 CO 0.05 0.67 0.00 0.00 -0.69 0.00 0.00 178.15 178.18 1pve n GLN 23 N -3.83 0.02 0.00 2.37 1.13 -0.12 -1.92 117.38 115.03 1pve n GLN 23 Ca -0.06 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1pve n GLN 23 Cb 0.77 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.62 1pve n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pve n GLN 24 N -1.41 2.48 -3.55 -1.09 10.64 -1.19 -4.91 117.38 118.35 1pve n GLN 24 Ca 0.01 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.91 1pve n GLN 24 Cb 0.04 -0.84 -0.10 0.00 -0.86 0.00 0.00 30.24 28.48 1pve n GLN 24 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1pve n ASN 25 N -1.37 1.06 0.30 2.61 4.13 -0.16 -4.98 115.26 116.86 1pve n ASN 25 Ca 0.00 -2.76 0.18 0.00 1.68 0.00 0.00 54.58 53.68 1pve n ASN 25 Cb 0.24 -0.64 0.94 0.00 -1.54 0.00 0.00 39.78 38.78 1pve n ASN 25 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1pve h PRO 26 N 5.29 0.00 0.00 3.52 0.13 -1.61 -1.65 132.00 137.68 1pve h PRO 26 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 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 0.03 0.19 0.66 -0.23 0.00 0.00 178.00 179.18 1pve h SER 27 N 0.00 0.00 -0.38 1.44 4.64 -1.94 -2.16 113.55 115.15 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 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 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 -2.88 3.44 -0.03 5.97 4.77 -0.62 -4.44 117.00 123.22 1pve n LEU 28 Ca -0.02 -1.48 -0.08 0.00 -0.03 0.00 0.00 56.01 54.40 1pve n LEU 28 Cb 0.24 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1pve n LEU 28 CO 0.15 0.74 0.78 0.25 -1.33 0.00 0.00 177.39 177.98 1pve h LEU 29 N 4.46 -0.40 -0.55 2.23 5.85 -1.54 -1.04 115.31 124.32 1pve h LEU 29 Ca 0.00 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1pve h LEU 29 Cb 0.98 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 1pve h LEU 29 CO 0.00 -0.16 -0.11 -0.65 -0.34 0.00 0.00 178.44 177.18 1pve h PRO 30 N -0.12 0.02 0.00 5.25 0.11 -1.82 -1.37 132.00 134.07 1pve h PRO 30 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1pve h PRO 30 Cb 0.28 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1pve h PRO 30 CO -0.26 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.54 1pve n ALA 31 N -2.90 1.40 -0.09 -0.75 0.00 -0.90 -0.80 120.51 116.47 1pve n ALA 31 Ca 0.06 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 1pve n ALA 31 Cb 0.30 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.15 2.62 -0.27 0.00 7.94 -0.44 -3.24 117.00 121.46 1pve n LEU 32 Ca 0.01 -0.01 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1pve n LEU 32 Cb 0.14 -0.85 0.09 0.00 0.53 0.00 0.00 43.42 43.33 1pve n LEU 32 CO 0.14 0.87 1.17 -0.07 -1.11 0.00 0.00 177.39 178.39 1pve h LEU 33 N 0.02 0.79 -1.86 -1.96 3.38 -0.95 0.12 115.31 114.85 1pve h LEU 33 Ca -0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1pve h LEU 33 Cb 1.97 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1pve h LEU 33 CO -0.02 0.55 -0.12 1.56 0.09 0.00 0.00 178.44 180.50 1pve h GLN 34 N 0.94 0.00 0.20 1.13 4.20 -1.14 -0.88 115.11 119.56 1pve h GLN 34 Ca 0.30 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.72 1pve h GLN 34 Cb 0.01 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.82 1pve h GLN 34 CO -0.11 0.12 -1.32 0.37 -0.67 0.00 0.00 178.83 177.22 1pve h GLN 35 N 0.00 0.43 -0.92 1.46 4.15 -1.21 -3.23 115.11 115.79 1pve h GLN 35 Ca -0.00 -0.73 0.06 0.00 0.77 0.00 0.00 58.65 58.75 1pve h GLN 35 Cb 0.23 0.27 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1pve h GLN 35 CO 0.02 1.35 0.60 0.82 -1.93 0.00 0.00 178.83 179.68 1pve h ILE 36 N -0.06 1.07 0.00 2.39 2.04 -0.72 -1.15 117.51 121.08 1pve h ILE 36 Ca -0.24 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1pve h ILE 36 Cb 1.97 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1pve h ILE 36 CO 0.21 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.16 1pve n GLY 37 N -1.39 -0.55 0.25 5.37 0.00 -0.35 -0.39 105.19 108.13 1pve n GLY 37 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.39 0.30 0.06 1.61 5.12 -0.63 -4.37 116.66 117.35 1pve n ARG 38 Ca 0.02 0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1pve n ARG 38 Cb 0.05 -1.14 -0.13 0.00 -1.16 0.00 0.00 32.46 30.08 1pve n ARG 38 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1pve h GLU 39 N -0.17 0.05 -0.86 5.56 4.57 -1.15 -3.41 114.58 119.17 1pve h GLU 39 Ca -0.29 -0.09 -0.35 0.00 -1.18 0.00 0.00 59.36 57.45 1pve h GLU 39 Cb 1.38 0.03 -0.26 0.00 -0.16 0.00 0.00 28.75 29.74 1pve h GLU 39 CO -0.10 0.99 -0.77 0.09 -1.18 0.00 0.00 179.01 178.04 1pve n ASN 40 N -3.35 -1.05 0.17 1.04 4.13 0.47 -5.02 115.26 111.64 1pve n ASN 40 Ca -0.04 -3.36 0.18 0.00 1.68 0.00 0.00 54.58 53.04 1pve n ASN 40 Cb 0.97 0.83 0.79 0.00 -1.54 0.00 0.00 39.78 40.83 1pve n ASN 40 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1pve h PRO 41 N 3.13 0.00 -0.28 3.52 0.13 -1.70 -0.40 132.00 136.40 1pve h PRO 41 Ca -0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.92 1pve h PRO 41 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1pve h PRO 41 CO 0.30 0.00 -0.56 1.96 -0.23 0.00 0.00 178.00 179.48 1pve h GLN 42 N 0.00 0.87 -0.13 0.86 4.20 -1.94 -1.73 115.11 117.23 1pve h GLN 42 Ca 0.12 -0.56 -0.07 0.00 0.06 0.00 0.00 58.65 58.20 1pve h GLN 42 Cb 0.62 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1pve h GLN 42 CO -0.00 1.19 -0.25 1.25 -0.67 0.00 0.00 178.83 180.35 1pve h LEU 43 N 0.66 0.24 0.24 1.46 5.85 -1.47 -2.54 115.31 119.75 1pve h LEU 43 Ca 0.01 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1pve h LEU 43 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1pve h LEU 43 CO 0.12 0.50 -0.12 0.25 -0.34 0.00 0.00 178.44 178.85 1pve h LEU 44 N 0.22 -0.28 -1.00 2.25 7.12 -0.95 0.51 115.31 123.18 1pve h LEU 44 Ca 0.03 -0.21 0.20 0.00 0.13 0.00 0.00 57.88 58.03 1pve h LEU 44 Cb 0.57 0.07 -0.11 0.00 -0.53 0.00 0.00 40.66 40.66 1pve h LEU 44 CO 0.04 0.08 0.60 1.56 -0.13 0.00 0.00 178.44 180.60 1pve h GLN 45 N -0.67 0.72 -0.26 1.25 1.08 -1.38 0.37 115.11 116.20 1pve h GLN 45 Ca -0.03 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1pve h GLN 45 Cb 0.47 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1pve h GLN 45 CO 0.06 0.47 -0.19 1.96 -0.95 0.00 0.00 178.83 180.18 1pve h GLN 46 N 0.74 0.59 -0.95 1.46 4.20 -1.20 -1.93 115.11 118.01 1pve h GLN 46 Ca 0.59 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1pve h GLN 46 Cb 0.94 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 1pve h GLN 46 CO -0.40 0.87 0.63 0.82 -0.67 0.00 0.00 178.83 180.08 1pve h ILE 47 N 0.32 1.20 -0.28 2.54 2.04 -0.30 -2.32 117.51 120.71 1pve h ILE 47 Ca 0.05 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1pve h ILE 47 Cb 0.73 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1pve h ILE 47 CO 0.05 0.23 -0.13 0.28 0.00 0.00 0.00 178.15 178.57 1pve h SER 48 N 1.24 0.45 1.09 1.72 0.02 -0.79 -0.18 113.55 117.11 1pve h SER 48 Ca 0.37 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1pve h SER 48 Cb -0.06 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1pve h SER 48 CO -0.10 0.62 -0.01 1.56 -1.14 0.00 0.00 176.83 177.76 1pve h GLN 49 N 0.43 0.00 0.00 3.45 4.20 -0.83 -3.36 115.11 119.01 1pve h GLN 49 Ca 0.08 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 49 Cb 0.49 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.90 1pve h GLN 49 CO 0.03 0.01 -1.02 0.72 -0.67 0.00 0.00 178.83 177.90 1pve n HIS 50 N -3.10 0.00 0.20 2.96 8.25 -0.96 -5.00 115.22 117.58 1pve n HIS 50 Ca 0.01 -0.50 0.07 0.00 -0.26 0.00 0.00 57.72 57.03 1pve n HIS 50 Cb 0.32 -0.15 0.58 0.00 1.12 0.00 0.00 29.99 31.86 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 0.97 0.11 -0.89 -0.41 4.15 -1.19 -0.93 115.11 116.92 1pve h GLN 51 Ca -0.22 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.22 1pve h GLN 51 Cb 1.87 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.49 1pve h GLN 51 CO 0.10 0.10 0.58 1.49 -1.93 0.00 0.00 178.83 179.17 1pve h GLU 52 N 0.11 1.09 -0.06 1.69 4.81 -1.94 -0.50 114.58 119.79 1pve h GLU 52 Ca 0.03 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 1pve h GLU 52 Cb 0.03 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1pve h GLU 52 CO -0.00 0.72 -0.74 1.25 -0.73 0.00 0.00 179.01 179.51 1pve h HIS 53 N 1.13 0.44 -0.32 0.92 2.76 -1.56 -0.95 115.15 117.57 1pve h HIS 53 Ca 0.35 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1pve h HIS 53 Cb -0.01 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1pve h HIS 53 CO -0.00 0.95 0.19 0.35 -1.30 0.00 0.00 177.93 178.12 1pve h PHE 54 N 0.22 0.42 -0.80 5.26 3.57 -1.41 -2.10 116.94 122.10 1pve h PHE 54 Ca -0.03 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1pve h PHE 54 Cb 1.31 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1pve h PHE 54 CO 0.04 0.31 0.52 0.82 -2.23 0.00 0.00 178.31 177.77 1pve h ILE 55 N 0.41 1.12 0.16 1.41 2.04 -0.88 0.11 117.51 121.88 1pve h ILE 55 Ca 0.11 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1pve h ILE 55 Cb 0.01 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1pve h ILE 55 CO -0.02 0.18 -0.08 1.56 0.00 0.00 0.00 178.15 179.79 1pve h GLN 56 N 0.98 -0.20 -0.61 2.37 4.20 -1.01 -2.62 115.11 118.21 1pve h GLN 56 Ca 0.32 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.97 1pve h GLN 56 Cb 0.05 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 1pve h GLN 56 CO -0.09 -0.01 0.11 0.52 -0.67 0.00 0.00 178.83 178.69 1pve h MET 57 N -0.36 0.97 -0.71 1.46 2.86 -0.99 -2.25 114.93 115.91 1pve h MET 57 Ca -0.02 -0.23 0.17 0.00 -2.06 0.00 0.00 59.70 57.55 1pve h MET 57 Cb 0.28 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 1pve h MET 57 CO 0.04 0.89 0.49 -0.07 1.06 0.00 0.00 176.91 179.31 1pve h LEU 58 N 0.92 0.21 0.00 1.22 3.38 -0.80 -2.34 115.31 117.91 1pve h LEU 58 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1pve h LEU 58 Cb 0.38 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1pve h LEU 58 CO 0.01 0.10 -0.37 0.59 0.09 0.00 0.00 178.44 178.86 1pve n ASN 59 N -4.42 0.40 -4.76 -0.43 3.02 -0.86 -4.69 115.26 103.52 1pve n ASN 59 Ca 0.14 0.02 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 1pve n ASN 59 Cb 0.63 0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.84 1pve n ASN 59 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pve s GLU 60 N -3.02 3.05 -0.15 3.52 0.41 -0.88 -4.93 118.70 116.69 1pve s GLU 60 Ca 0.11 1.75 -0.40 0.00 -0.41 0.00 0.00 54.97 56.02 1pve s GLU 60 Cb 0.17 -1.95 -0.17 0.00 -1.78 0.00 0.00 34.13 30.41 1pve s GLU 60 CO 0.66 -1.12 1.55 -2.30 -0.49 0.00 0.00 175.26 173.55 1pve n PRO 61 N -1.57 0.97 -1.75 0.39 -0.02 -1.26 -4.85 135.00 126.90 1pve n PRO 61 Ca 0.13 0.35 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1pve n PRO 61 Cb 0.50 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 32.02 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 3.61 3.23 -1.31 -1.45 0.24 -1.26 -1.32 118.33 120.06 1pve n VAL 62 Ca 0.24 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1pve n VAL 62 Cb 0.13 -1.74 -0.05 0.00 -1.47 0.00 0.00 33.84 30.71 1pve n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pve n GLN 63 N -0.53 -1.50 0.00 7.34 6.02 -1.26 -4.60 117.38 122.85 1pve n GLN 63 Ca 0.08 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 1pve n GLN 63 Cb 0.43 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.62 1pve n GLN 63 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1pve n GLU 64 N -1.42 0.00 -4.16 -1.09 2.13 -1.19 -5.16 120.64 109.75 1pve n GLU 64 Ca -0.13 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.58 1pve n GLU 64 Cb 0.50 -0.32 -0.09 0.00 0.27 0.00 0.00 31.44 31.79 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pve s ALA 65 N -1.00 0.91 0.00 4.31 0.00 -0.44 -5.03 121.76 120.52 1pve s ALA 65 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1pve s ALA 65 Cb 0.00 1.25 0.00 0.00 0.00 0.00 0.00 23.12 24.37 1pve s ALA 65 CO 0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1pve n GLY 66 N -0.25 -0.06 0.04 0.00 0.00 -1.26 -4.62 105.19 99.03 1pve n GLY 66 Ca 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.67 0.00 -0.02 0.00 -1.26 -3.47 105.19 99.77 1pve n GLY 67 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.71 0.01 -3.81 1.61 10.64 -1.26 -4.83 117.38 118.04 1pve n GLN 68 Ca 0.00 0.39 -0.03 0.00 -1.83 0.00 0.00 57.00 55.53 1pve n GLN 68 Cb 0.03 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.92 1pve n GLN 68 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1pve s GLY 69 N -2.82 -0.06 -0.06 2.61 0.00 -1.23 -5.10 107.32 100.66 1pve s GLY 69 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.65 1pve s GLY 69 CO 0.03 0.97 0.61 0.61 0.00 0.00 0.00 173.10 175.32 1pve n GLY 70 N -0.57 -0.15 0.00 0.20 0.00 -1.26 -4.89 105.19 98.52 1pve n GLY 70 Ca -0.05 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.28 -1.15 0.00 -0.02 0.00 -1.26 -5.28 105.19 97.19 1pve n GLY 71 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93