#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 0.71 -2.96 1.61 7.64 -1.26 -5.04 113.62 114.31 1pve n SER 2 Ca 0.00 -1.08 -0.18 0.00 1.01 0.00 0.00 58.87 58.62 1pve n SER 2 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pve n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1pve n HIS 3 N -0.04 -1.67 -1.10 1.43 -0.00 -1.26 -5.00 115.22 107.58 1pve n HIS 3 Ca 0.00 0.28 -0.34 0.00 -0.00 0.00 0.00 57.72 57.66 1pve n HIS 3 Cb 0.13 -2.92 0.12 0.00 -0.00 0.00 0.00 29.99 27.32 1pve n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1pve n MET 4 N -3.36 0.17 0.18 -0.41 2.00 -1.26 -4.92 117.12 109.52 1pve n MET 4 Ca -0.07 0.13 0.13 0.00 0.00 0.00 0.00 57.70 57.89 1pve n MET 4 Cb 0.57 -2.38 0.63 0.00 0.00 0.00 0.00 33.22 32.05 1pve n MET 4 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1pve h PRO 5 N -0.90 0.00 -0.11 0.03 0.13 -2.01 -1.51 132.00 127.63 1pve h PRO 5 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1pve h PRO 5 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1pve h PRO 5 CO 0.45 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.50 1pve n LEU 6 N -2.42 2.78 0.27 1.56 4.77 -1.26 -4.44 117.00 118.26 1pve n LEU 6 Ca -0.00 -2.78 0.12 0.00 -0.03 0.00 0.00 56.01 53.32 1pve n LEU 6 Cb 0.13 -0.37 0.75 0.00 -2.33 0.00 0.00 43.42 41.59 1pve n LEU 6 CO 0.16 0.67 1.01 -0.08 -1.33 0.00 0.00 177.39 177.81 1pve h GLU 7 N 0.70 0.00 -0.78 3.23 4.81 -1.63 -3.25 114.58 117.67 1pve h GLU 7 Ca 0.00 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 1pve h GLU 7 Cb 1.02 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 1pve h GLU 7 CO 0.06 0.10 0.52 0.35 -0.73 0.00 0.00 179.01 179.31 1pve h PHE 8 N 0.00 0.46 -0.01 0.92 3.57 -1.78 -2.94 116.94 117.17 1pve h PHE 8 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pve h PHE 8 Cb 0.24 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1pve h PHE 8 CO 0.00 0.16 -0.30 1.47 -2.23 0.00 0.00 178.31 177.42 1pve n LEU 9 N -4.47 1.04 0.00 0.59 -0.00 -1.23 -4.65 117.00 108.28 1pve n LEU 9 Ca 0.15 -0.69 0.04 0.00 -0.00 0.00 0.00 56.01 55.51 1pve n LEU 9 Cb 0.57 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.16 1pve n LEU 9 CO 0.33 0.21 0.60 -1.14 -0.00 0.00 0.00 177.39 177.39 1pve n ARG 10 N -0.53 0.03 0.00 1.47 0.63 -1.11 -2.20 116.66 114.94 1pve n ARG 10 Ca 0.04 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1pve n ARG 10 Cb 0.21 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.62 1pve n ARG 10 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pve n ASN 11 N -1.45 0.89 -4.91 6.15 3.02 -1.26 -4.99 115.26 112.71 1pve n ASN 11 Ca 0.02 -1.30 -0.27 0.00 -0.03 0.00 0.00 54.58 53.00 1pve n ASN 11 Cb 0.08 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1pve s GLN 12 N -0.30 3.10 0.94 3.52 -1.52 -0.94 -5.07 119.66 119.39 1pve s GLN 12 Ca 0.00 0.10 -0.12 0.00 -1.95 0.00 0.00 55.36 53.38 1pve s GLN 12 Cb 0.00 -2.28 0.05 0.00 -0.22 0.00 0.00 33.01 30.56 1pve s GLN 12 CO 0.00 -0.59 0.48 -2.30 -0.25 0.00 0.00 175.29 172.63 1pve n PRO 13 N -2.53 -0.30 0.00 2.91 -0.02 -1.26 -3.48 135.00 130.31 1pve n PRO 13 Ca 0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1pve n PRO 13 Cb 0.57 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1pve n PRO 13 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1pve n GLN 14 N -1.93 0.00 0.23 -0.52 3.00 -1.26 -4.75 117.38 112.15 1pve n GLN 14 Ca 0.07 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.12 1pve n GLN 14 Cb 0.53 -3.54 0.53 0.00 0.00 0.00 0.00 30.24 27.76 1pve n GLN 14 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1pve h PHE 15 N 0.00 0.00 0.00 1.08 3.57 -1.88 -0.82 116.94 118.89 1pve h PHE 15 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pve h PHE 15 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1pve h PHE 15 CO 0.00 0.16 -0.02 1.96 -2.23 0.00 0.00 178.31 178.18 1pve h GLN 16 N 0.00 0.00 0.00 1.11 7.50 -1.85 -3.38 115.11 118.49 1pve h GLN 16 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1pve h GLN 16 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1pve h GLN 16 CO 0.02 0.02 -0.83 1.04 -1.50 0.00 0.00 178.83 177.59 1pve n GLN 17 N -3.23 0.00 -0.06 1.46 6.02 -0.64 -4.76 117.38 116.17 1pve n GLN 17 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.04 1pve n GLN 17 Cb 0.17 -0.74 0.43 0.00 1.02 0.00 0.00 30.24 31.13 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 0.53 0.00 -1.09 -0.00 -1.36 -1.80 114.93 111.21 1pve h MET 18 Ca 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.70 59.57 1pve h MET 18 Cb 0.83 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.29 1pve h MET 18 CO 0.00 0.35 -0.47 0.00 -0.00 0.00 0.00 176.91 176.80 1pve h ARG 19 N 0.55 0.00 -0.18 -0.10 3.08 -1.83 -2.48 114.38 113.42 1pve h ARG 19 Ca 0.22 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1pve h ARG 19 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1pve h ARG 19 CO -0.06 0.47 -0.03 1.96 -1.07 0.00 0.00 179.97 181.24 1pve h GLN 20 N 0.00 0.26 -0.10 0.04 4.20 -1.62 -2.29 115.11 115.60 1pve h GLN 20 Ca -0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 20 Cb 1.06 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 1pve h GLN 20 CO 0.06 0.31 -0.10 0.82 -0.67 0.00 0.00 178.83 179.25 1pve h ILE 21 N 0.26 1.36 -0.07 2.54 2.04 -1.42 -3.30 117.51 118.92 1pve h ILE 21 Ca 0.06 -1.25 -0.10 0.00 1.00 0.00 0.00 64.86 64.57 1pve h ILE 21 Cb 0.22 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1pve h ILE 21 CO 0.01 0.35 -0.42 0.40 0.00 0.00 0.00 178.15 178.50 1pve h ILE 22 N -0.17 1.31 0.00 -0.67 1.08 -1.39 0.76 117.51 118.42 1pve h ILE 22 Ca 0.02 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1pve h ILE 22 Cb 0.61 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1pve h ILE 22 CO 0.02 0.44 0.00 0.00 -0.69 0.00 0.00 178.15 177.92 1pve n GLN 23 N -4.03 0.46 0.00 2.37 6.02 -0.88 -2.09 117.38 119.23 1pve n GLN 23 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1pve n GLN 23 Cb 0.47 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 -0.93 0.89 -3.63 -1.09 6.02 -0.73 -4.95 117.38 112.96 1pve n GLN 24 Ca 0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1pve n GLN 24 Cb 0.04 -0.76 -0.11 0.00 1.02 0.00 0.00 30.24 30.43 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 -2.90 3.03 0.61 1.08 -0.87 0.18 -4.96 114.94 111.10 1pve s ASN 25 Ca 0.00 -3.42 0.38 0.00 -1.57 0.00 0.00 52.86 48.25 1pve s ASN 25 Cb 0.00 -1.00 1.95 0.00 -0.02 0.00 0.00 41.25 42.18 1pve s ASN 25 CO 0.00 -0.13 2.21 1.55 -2.57 0.00 0.00 177.10 178.16 1pve h PRO 26 N 5.54 0.00 0.00 -0.60 0.13 -1.65 -1.72 132.00 133.70 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 0.02 0.15 0.66 -0.23 0.00 0.00 178.00 179.12 1pve h SER 27 N 0.00 0.00 -0.42 1.44 4.64 -1.93 -2.09 113.55 115.19 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 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 -2.75 3.40 -0.04 5.97 4.77 -0.65 -4.44 117.00 123.27 1pve n LEU 28 Ca -0.02 -1.61 -0.08 0.00 -0.03 0.00 0.00 56.01 54.26 1pve n LEU 28 Cb 0.20 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1pve n LEU 28 CO 0.14 0.76 0.81 0.25 -1.33 0.00 0.00 177.39 178.03 1pve h LEU 29 N 4.04 -0.26 -0.77 2.23 5.85 -1.52 -0.90 115.31 123.98 1pve h LEU 29 Ca 0.00 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.93 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 42.01 1pve h LEU 29 CO 0.00 -0.10 0.27 -0.65 -0.34 0.00 0.00 178.44 177.62 1pve h PRO 30 N -0.05 0.35 0.00 5.25 0.11 -1.80 -0.97 132.00 134.89 1pve h PRO 30 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1pve h PRO 30 Cb 0.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1pve h PRO 30 CO -0.23 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 177.80 1pve n ALA 31 N -2.57 1.76 -0.08 -0.75 0.00 -0.93 -1.43 120.51 116.50 1pve n ALA 31 Ca 0.16 0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.45 1pve n ALA 31 Cb 0.48 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.06 2.57 -0.15 0.00 7.94 -0.39 -3.05 117.00 121.87 1pve n LEU 32 Ca 0.03 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 1pve n LEU 32 Cb 0.24 -0.83 0.03 0.00 0.53 0.00 0.00 43.42 43.40 1pve n LEU 32 CO 0.20 0.86 1.02 -0.07 -1.11 0.00 0.00 177.39 178.29 1pve h LEU 33 N 0.02 0.37 -2.06 -1.96 3.38 -1.19 0.93 115.31 114.80 1pve h LEU 33 Ca -0.52 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1pve h LEU 33 Cb 1.97 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1pve h LEU 33 CO -0.02 0.26 -0.04 1.56 0.09 0.00 0.00 178.44 180.29 1pve h GLN 34 N 0.49 0.00 0.22 1.13 4.20 -1.41 -0.54 115.11 119.21 1pve h GLN 34 Ca 0.20 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.58 1pve h GLN 34 Cb 0.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.89 1pve h GLN 34 CO -0.12 0.04 -1.53 0.37 -0.67 0.00 0.00 178.83 176.92 1pve h GLN 35 N 0.00 0.47 -0.70 1.46 4.15 -1.18 -3.22 115.11 116.09 1pve h GLN 35 Ca -0.00 -0.81 0.02 0.00 0.77 0.00 0.00 58.65 58.63 1pve h GLN 35 Cb 0.31 0.30 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 1pve h GLN 35 CO 0.01 1.39 0.46 0.82 -1.93 0.00 0.00 178.83 179.58 1pve h ILE 36 N 0.09 1.15 0.00 2.39 2.04 -0.64 -0.66 117.51 121.88 1pve h ILE 36 Ca -0.28 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1pve h ILE 36 Cb 2.10 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1pve h ILE 36 CO 0.23 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.16 1pve n GLY 37 N -1.43 -0.07 0.00 5.37 0.00 -0.23 -0.22 105.19 108.61 1pve n GLY 37 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.93 1.07 -0.00 1.61 5.12 -0.39 -4.39 116.66 118.74 1pve n ARG 38 Ca 0.02 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.80 1pve n ARG 38 Cb 0.01 -0.90 -0.02 0.00 -1.16 0.00 0.00 32.46 30.38 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 0.67 -0.71 5.56 5.08 -1.01 -3.43 114.58 120.75 1pve h GLU 39 Ca 0.00 -0.51 -0.20 0.00 -1.00 0.00 0.00 59.36 57.65 1pve h GLU 39 Cb 0.80 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.98 1pve h GLU 39 CO 0.00 1.13 -0.52 -1.71 -1.00 0.00 0.00 179.01 176.91 1pve n ASN 40 N -3.92 -3.08 0.32 1.42 2.85 0.70 -5.04 115.26 108.52 1pve n ASN 40 Ca -0.06 -3.04 0.20 0.00 -0.11 0.00 0.00 54.58 51.58 1pve n ASN 40 Cb 0.71 1.65 1.08 0.00 1.24 0.00 0.00 39.78 44.45 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 4.64 0.00 -0.04 1.20 0.13 -1.72 -1.32 132.00 134.89 1pve h PRO 41 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1pve h PRO 41 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pve h PRO 41 CO 0.15 0.00 -0.12 1.96 -0.23 0.00 0.00 178.00 179.76 1pve h GLN 42 N 0.00 0.16 -0.62 0.86 4.20 -1.95 -2.71 115.11 115.04 1pve h GLN 42 Ca 0.01 -0.11 0.09 0.00 0.06 0.00 0.00 58.65 58.70 1pve h GLN 42 Cb 0.17 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1pve h GLN 42 CO -0.00 0.73 0.41 1.25 -0.67 0.00 0.00 178.83 180.55 1pve h LEU 43 N -0.39 0.43 0.20 1.46 5.85 -1.66 -1.83 115.31 119.38 1pve h LEU 43 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1pve h LEU 43 Cb 0.74 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1pve h LEU 43 CO 0.03 0.27 -0.10 0.25 -0.34 0.00 0.00 178.44 178.55 1pve h LEU 44 N 0.49 -0.23 -1.20 2.25 7.12 -1.22 0.78 115.31 123.30 1pve h LEU 44 Ca 0.28 -0.17 0.13 0.00 0.13 0.00 0.00 57.88 58.25 1pve h LEU 44 Cb 0.46 0.06 -0.07 0.00 -0.53 0.00 0.00 40.66 40.58 1pve h LEU 44 CO -0.08 0.04 0.59 1.56 -0.13 0.00 0.00 178.44 180.42 1pve h GLN 45 N -0.50 0.79 -0.18 1.25 1.08 -1.27 0.14 115.11 116.42 1pve h GLN 45 Ca -0.03 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 56.92 1pve h GLN 45 Cb 0.38 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1pve h GLN 45 CO 0.04 0.52 -0.70 1.96 -0.95 0.00 0.00 178.83 179.71 1pve h GLN 46 N 0.81 0.73 -0.76 1.46 7.50 -1.00 -2.31 115.11 121.55 1pve h GLN 46 Ca 0.45 -0.56 -0.02 0.00 0.50 0.00 0.00 58.65 59.02 1pve h GLN 46 Cb 0.58 0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.18 1pve h GLN 46 CO -0.21 1.17 0.38 0.82 -1.50 0.00 0.00 178.83 179.49 1pve h ILE 47 N 0.52 1.24 -0.35 2.54 2.04 -0.56 -3.01 117.51 119.93 1pve h ILE 47 Ca -0.03 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 1pve h ILE 47 Cb 1.31 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pve h ILE 47 CO 0.14 0.27 0.05 0.28 0.00 0.00 0.00 178.15 178.90 1pve h SER 48 N 1.06 0.48 0.58 1.72 0.02 -0.87 -0.76 113.55 115.78 1pve h SER 48 Ca 0.26 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1pve h SER 48 Cb 0.09 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1pve h SER 48 CO -0.04 0.52 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 1pve n GLN 49 N -4.32 0.08 -1.23 3.45 6.02 -0.88 -3.80 117.38 116.70 1pve n GLN 49 Ca 0.02 0.33 0.03 0.00 -0.01 0.00 0.00 57.00 57.36 1pve n GLN 49 Cb 0.21 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.80 0.00 0.09 1.08 8.25 -0.58 -5.00 115.22 117.25 1pve n HIS 50 Ca 0.03 -0.38 0.11 0.00 -0.26 0.00 0.00 57.72 57.22 1pve n HIS 50 Cb 0.19 -0.09 0.59 0.00 1.12 0.00 0.00 29.99 31.80 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 0.71 0.16 -0.61 -0.41 4.15 -1.28 -1.43 115.11 116.39 1pve h GLN 51 Ca -0.19 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.16 1pve h GLN 51 Cb 1.75 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 29.37 1pve h GLN 51 CO 0.06 0.11 0.14 0.93 -1.93 0.00 0.00 178.83 178.14 1pve h GLU 52 N 0.17 0.96 -0.53 1.69 5.08 -1.93 0.05 114.58 120.07 1pve h GLU 52 Ca 0.14 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1pve h GLU 52 Cb 0.35 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1pve h GLU 52 CO -0.02 0.86 -0.06 1.25 -1.00 0.00 0.00 179.01 180.04 1pve h HIS 53 N 0.92 1.08 -0.25 4.33 2.76 -1.65 -1.60 115.15 120.73 1pve h HIS 53 Ca 0.20 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1pve h HIS 53 Cb 0.34 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1pve h HIS 53 CO 0.02 1.00 0.13 0.35 -1.30 0.00 0.00 177.93 178.13 1pve h PHE 54 N 0.85 0.35 -0.64 5.26 3.57 -1.30 -1.14 116.94 123.88 1pve h PHE 54 Ca 0.14 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1pve h PHE 54 Cb 0.61 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1pve h PHE 54 CO 0.04 0.31 0.39 0.82 -2.23 0.00 0.00 178.31 177.65 1pve h ILE 55 N 0.28 1.18 -0.24 1.41 2.04 -0.93 0.17 117.51 121.42 1pve h ILE 55 Ca 0.09 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1pve h ILE 55 Cb 0.08 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1pve h ILE 55 CO -0.01 0.18 -0.11 -0.61 0.00 0.00 0.00 178.15 177.60 1pve h GLN 56 N 0.88 0.50 -0.13 2.37 4.15 -1.12 -2.82 115.11 118.94 1pve h GLN 56 Ca 0.23 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.32 1pve h GLN 56 Cb -0.04 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1pve h GLN 56 CO -0.04 0.76 -0.42 1.98 -1.93 0.00 0.00 178.83 179.18 1pve h MET 57 N 0.22 0.30 -0.11 1.69 4.05 -0.84 -1.97 114.93 118.27 1pve h MET 57 Ca 0.05 -0.14 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1pve h MET 57 Cb 0.61 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1pve h MET 57 CO 0.03 0.67 0.10 -0.07 0.23 0.00 0.00 176.91 177.87 1pve h LEU 58 N 0.25 0.00 -1.46 3.39 3.38 -0.70 -2.88 115.31 117.29 1pve h LEU 58 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pve h LEU 58 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1pve h LEU 58 CO 0.07 0.00 -0.22 0.59 0.09 0.00 0.00 178.44 178.97 1pve n ASN 59 N -4.02 2.49 -4.76 -0.43 3.02 -0.77 -4.71 115.26 106.08 1pve n ASN 59 Ca -0.00 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.43 1pve n ASN 59 Cb 0.21 0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.23 3.34 -0.61 3.52 0.41 -1.06 -4.93 118.70 117.15 1pve s GLU 60 Ca 0.24 1.90 -0.27 0.00 -0.41 0.00 0.00 54.97 56.43 1pve s GLU 60 Cb 0.19 -2.20 -0.01 0.00 -1.78 0.00 0.00 34.13 30.33 1pve s GLU 60 CO 0.43 -0.93 1.76 -1.25 -0.49 0.00 0.00 175.26 174.78 1pve s PRO 61 N -2.98 2.77 0.63 0.39 0.04 -1.26 -4.86 135.00 129.73 1pve s PRO 61 Ca 0.70 0.54 0.34 0.00 0.04 0.00 0.00 61.00 62.62 1pve s PRO 61 Cb -0.32 -4.34 1.88 0.00 0.04 0.00 0.00 34.50 31.76 1pve s PRO 61 CO 0.37 -2.58 2.13 -0.39 0.04 0.00 0.00 177.00 176.57 1pve h VAL 62 N 6.75 0.20 0.00 -0.36 -1.51 -1.95 0.97 116.25 120.35 1pve h VAL 62 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1pve h VAL 62 Cb 1.14 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1pve h VAL 62 CO 1.21 0.00 0.00 0.06 -1.23 0.00 0.00 177.57 177.61 1pve h GLN 63 N 0.00 0.00 0.00 5.19 3.07 -1.99 -3.39 115.11 117.99 1pve h GLN 63 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1pve h GLN 63 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1pve h GLN 63 CO -0.00 0.00 -0.10 0.39 0.09 0.00 0.00 178.83 179.21 1pve n GLU 64 N -2.36 0.00 -1.14 0.06 1.02 -0.35 -4.97 120.64 112.90 1pve n GLU 64 Ca 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.08 1pve n GLU 64 Cb 0.21 -0.53 -0.03 0.00 -0.02 0.00 0.00 31.44 31.07 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pve n ALA 65 N -1.65 -0.11 0.00 0.62 0.00 0.19 -2.59 120.51 116.97 1pve n ALA 65 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pve n ALA 65 Cb 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.09 0.71 2.39 0.00 0.00 -1.26 -5.07 105.19 101.88 1pve n GLY 66 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.44 0.16 -0.02 0.00 -1.07 -5.04 105.19 99.66 1pve n GLY 67 Ca 0.00 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1pve n GLY 67 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pve h GLN 68 N 0.00 0.00 0.00 1.61 4.20 -1.95 -3.41 115.11 115.56 1pve h GLN 68 Ca -0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1pve h GLN 68 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1pve h GLN 68 CO 0.19 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.76 1pve n GLY 69 N -0.58 0.52 3.94 3.46 0.00 -1.26 -4.98 105.19 106.28 1pve n GLY 69 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.11 -0.18 0.00 -0.02 0.00 -1.26 -5.20 107.32 98.55 1pve s GLY 70 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1pve s GLY 70 CO 0.00 4.92 0.00 0.61 0.00 0.00 0.00 173.10 178.63 1pve n GLY 71 N -0.85 -1.23 0.00 0.20 0.00 -1.26 -5.19 105.19 96.86 1pve n GLY 71 Ca 0.02 -1.00 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