#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 2.51 0.00 1.61 1.04 -1.26 -5.02 113.70 112.58 1pve s SER 2 Ca 0.00 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1pve s SER 2 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1pve s SER 2 CO 0.00 -3.25 0.00 1.57 0.98 0.00 0.00 173.24 172.54 1pve n HIS 3 N -4.28 0.00 -3.81 5.02 -0.00 -1.26 -5.13 115.22 105.75 1pve n HIS 3 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 1pve n HIS 3 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.47 1pve n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pve s MET 4 N -0.20 0.95 0.76 1.57 0.00 -1.26 -5.17 119.30 115.94 1pve s MET 4 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 55.69 54.65 1pve s MET 4 Cb 0.00 0.38 0.05 0.00 0.00 0.00 0.00 34.83 35.26 1pve s MET 4 CO 0.00 -0.33 1.10 -1.25 0.00 0.00 0.00 175.02 174.54 1pve s PRO 5 N -3.86 2.29 -1.97 3.16 0.04 -1.26 -4.04 135.00 129.36 1pve s PRO 5 Ca 0.06 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1pve s PRO 5 Cb 0.04 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1pve s PRO 5 CO -0.10 -1.62 0.00 1.28 0.04 0.00 0.00 177.00 176.60 1pve n LEU 6 N -3.35 -1.35 0.20 -3.56 4.77 -1.26 -4.85 117.00 107.60 1pve n LEU 6 Ca 0.09 0.46 0.17 0.00 -0.03 0.00 0.00 56.01 56.70 1pve n LEU 6 Cb 0.53 -2.60 0.81 0.00 -2.33 0.00 0.00 43.42 39.83 1pve n LEU 6 CO 0.52 -0.97 1.15 -0.33 -1.33 0.00 0.00 177.39 176.43 1pve h GLU 7 N 0.00 0.00 0.00 3.23 5.08 -1.97 -2.13 114.58 118.79 1pve h GLU 7 Ca -0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1pve h GLU 7 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pve h GLU 7 CO 0.56 0.00 -0.09 0.74 -1.00 0.00 0.00 179.01 179.21 1pve h PHE 8 N 0.00 0.00 0.04 4.33 0.04 -1.92 -2.80 116.94 116.64 1pve h PHE 8 Ca 0.09 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1pve h PHE 8 Cb 0.48 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.64 1pve h PHE 8 CO 0.00 0.09 -0.24 -0.07 -0.60 0.00 0.00 178.31 177.49 1pve h LEU 9 N 0.00 0.14 -1.70 1.54 3.38 -1.79 -3.41 115.31 113.48 1pve h LEU 9 Ca -0.00 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 57.00 1pve h LEU 9 Cb 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pve h LEU 9 CO 0.01 1.10 0.00 0.54 0.09 0.00 0.00 178.44 180.18 1pve n ARG 10 N -4.47 0.50 0.00 1.13 1.74 -1.05 -1.85 116.66 112.66 1pve n ARG 10 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1pve n ARG 10 Cb 0.57 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1pve n ARG 10 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pve n ASN 11 N 0.60 0.08 -4.78 0.55 0.23 -1.25 -5.04 115.26 105.64 1pve n ASN 11 Ca 0.00 -0.03 -0.37 0.00 -0.53 0.00 0.00 54.58 53.65 1pve n ASN 11 Cb 0.21 0.07 -0.06 0.00 -2.08 0.00 0.00 39.78 37.92 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1pve s GLN 12 N -0.09 4.52 0.56 -3.83 -1.52 -0.77 -4.97 119.66 113.57 1pve s GLN 12 Ca 0.00 1.35 0.29 0.00 -1.95 0.00 0.00 55.36 55.04 1pve s GLN 12 Cb 0.00 -2.75 1.47 0.00 -0.22 0.00 0.00 33.01 31.51 1pve s GLN 12 CO 0.00 0.22 1.93 -1.35 -0.25 0.00 0.00 175.29 175.83 1pve h PRO 13 N 3.04 0.00 -0.02 2.91 0.11 -2.00 -2.67 132.00 133.37 1pve h PRO 13 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pve h PRO 13 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1pve h PRO 13 CO 0.64 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 1pve n GLN 14 N -3.99 2.43 0.20 1.05 6.02 -1.26 -4.44 117.38 117.40 1pve n GLN 14 Ca 0.11 -1.39 0.07 0.00 -0.01 0.00 0.00 57.00 55.77 1pve n GLN 14 Cb 0.71 -1.02 0.57 0.00 1.02 0.00 0.00 30.24 31.52 1pve n GLN 14 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1pve h PHE 15 N 0.14 0.10 0.00 1.08 3.57 -1.76 -0.54 116.94 119.54 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 0.45 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1pve h PHE 15 CO 0.01 0.10 0.00 1.04 -2.23 0.00 0.00 178.31 177.24 1pve n GLN 16 N -4.48 0.23 0.00 1.11 1.13 -1.26 -4.14 117.38 109.96 1pve n GLN 16 Ca -0.02 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1pve n GLN 16 Cb 0.12 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.27 0.00 0.02 -1.09 6.02 -0.34 -4.34 117.38 116.38 1pve n GLN 17 Ca 0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.17 1pve n GLN 17 Cb 0.12 -0.63 0.55 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 0.27 -0.00 -1.09 -0.00 -1.39 -1.30 114.93 111.43 1pve h MET 18 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.70 59.55 1pve h MET 18 Cb 0.92 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 32.44 1pve h MET 18 CO 0.00 0.18 -0.64 0.00 -0.00 0.00 0.00 176.91 176.45 1pve h ARG 19 N 0.28 0.01 -0.65 -0.10 3.08 -1.83 -2.87 114.38 112.31 1pve h ARG 19 Ca 0.19 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1pve h ARG 19 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1pve h ARG 19 CO -0.04 0.65 0.43 1.96 -1.07 0.00 0.00 179.97 181.90 1pve h GLN 20 N 0.01 0.75 -0.30 0.04 4.20 -1.48 -0.64 115.11 117.69 1pve h GLN 20 Ca -0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1pve h GLN 20 Cb 1.13 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1pve h GLN 20 CO 0.08 0.50 0.05 0.82 -0.67 0.00 0.00 178.83 179.62 1pve h ILE 21 N 0.78 1.23 -0.05 2.54 2.04 -1.46 -3.23 117.51 119.36 1pve h ILE 21 Ca 0.26 -0.78 -0.18 0.00 1.00 0.00 0.00 64.86 65.15 1pve h ILE 21 Cb 0.07 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1pve h ILE 21 CO -0.07 0.26 -0.76 0.40 0.00 0.00 0.00 178.15 177.97 1pve h ILE 22 N 0.31 1.41 0.00 -0.67 1.08 -1.40 0.41 117.51 118.65 1pve h ILE 22 Ca 0.09 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.31 1pve h ILE 22 Cb 0.33 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1pve h ILE 22 CO 0.00 0.67 0.00 0.00 -0.69 0.00 0.00 178.15 178.13 1pve n GLN 23 N -3.79 0.18 0.00 2.37 6.02 -0.29 -2.08 117.38 119.79 1pve n GLN 23 Ca -0.04 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1pve n GLN 23 Cb 0.73 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.17 1.16 -3.67 -1.09 6.02 -1.10 -4.93 117.38 112.59 1pve n GLN 24 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 1pve n GLN 24 Cb 0.05 -0.81 -0.11 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.99 3.32 0.62 1.08 -0.87 0.12 -4.96 114.94 111.25 1pve s ASN 25 Ca 0.00 -3.45 0.40 0.00 -1.57 0.00 0.00 52.86 48.24 1pve s ASN 25 Cb 0.00 -1.09 2.02 0.00 -0.02 0.00 0.00 41.25 42.16 1pve s ASN 25 CO 0.00 -0.13 2.22 1.55 -2.57 0.00 0.00 177.10 178.17 1pve h PRO 26 N 5.57 0.00 0.00 -0.60 0.13 -1.64 -1.43 132.00 134.03 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1pve h PRO 26 CO 0.56 0.00 0.12 0.66 -0.23 0.00 0.00 178.00 179.11 1pve h SER 27 N 0.00 0.00 -0.39 1.44 4.64 -1.93 -2.03 113.55 115.28 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 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 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 -2.61 3.39 -0.05 5.97 4.77 -0.54 -4.41 117.00 123.52 1pve n LEU 28 Ca -0.02 -1.56 -0.08 0.00 -0.03 0.00 0.00 56.01 54.33 1pve n LEU 28 Cb 0.17 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1pve n LEU 28 CO 0.13 0.74 0.79 0.25 -1.33 0.00 0.00 177.39 177.97 1pve h LEU 29 N 4.14 -0.36 -0.82 2.23 5.85 -1.51 -1.29 115.31 123.55 1pve h LEU 29 Ca 0.00 0.09 0.18 0.00 0.84 0.00 0.00 57.88 58.99 1pve h LEU 29 Cb 0.94 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.06 1pve h LEU 29 CO 0.00 -0.14 0.32 -0.65 -0.34 0.00 0.00 178.44 177.63 1pve h PRO 30 N -0.08 0.40 0.00 5.25 0.11 -1.80 -1.31 132.00 134.57 1pve h PRO 30 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1pve h PRO 30 Cb 0.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1pve h PRO 30 CO -0.28 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 177.77 1pve n ALA 31 N -2.54 1.83 -0.09 -0.75 0.00 -0.85 -1.08 120.51 117.03 1pve n ALA 31 Ca 0.18 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1pve n ALA 31 Cb 0.52 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.85 2.78 -0.09 0.00 7.94 -0.55 -3.07 117.00 122.17 1pve n LEU 32 Ca 0.04 -0.03 -0.07 0.00 -1.11 0.00 0.00 56.01 54.84 1pve n LEU 32 Cb 0.24 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.28 1pve n LEU 32 CO 0.19 0.90 0.93 -0.07 -1.11 0.00 0.00 177.39 178.24 1pve h LEU 33 N 0.02 0.13 -1.28 -1.96 3.38 -1.27 0.22 115.31 114.55 1pve h LEU 33 Ca -0.53 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1pve h LEU 33 Cb 1.95 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.72 1pve h LEU 33 CO -0.03 0.11 0.00 1.56 0.09 0.00 0.00 178.44 180.17 1pve h GLN 34 N 0.26 0.00 0.09 1.13 4.20 -1.29 -1.41 115.11 118.09 1pve h GLN 34 Ca 0.14 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 34 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.90 1pve h GLN 34 CO -0.14 0.00 -0.60 0.37 -0.67 0.00 0.00 178.83 177.79 1pve h GLN 35 N 0.00 0.25 -0.77 1.46 4.15 -1.23 -3.32 115.11 115.64 1pve h GLN 35 Ca 0.00 -0.39 0.04 0.00 0.77 0.00 0.00 58.65 59.07 1pve h GLN 35 Cb 0.37 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 1pve h GLN 35 CO 0.00 1.16 0.51 0.82 -1.93 0.00 0.00 178.83 179.39 1pve h ILE 36 N -0.46 1.11 0.00 2.39 2.04 -0.68 -0.32 117.51 121.58 1pve h ILE 36 Ca -0.10 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1pve h ILE 36 Cb 1.44 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1pve h ILE 36 CO 0.11 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1pve n GLY 37 N -1.42 -0.35 0.00 5.37 0.00 -0.56 -0.34 105.19 107.89 1pve n GLY 37 Ca 0.10 -0.04 0.00 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 -1.11 -0.19 0.00 1.61 5.12 -0.15 -4.49 116.66 117.45 1pve n ARG 38 Ca 0.05 -0.65 0.00 0.00 -1.93 0.00 0.00 57.85 55.32 1pve n ARG 38 Cb 0.04 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 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 -0.09 2.41 -3.09 5.56 0.28 -0.89 -4.96 120.64 119.86 1pve n GLU 39 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 1pve n GLU 39 Cb 0.07 -0.58 -0.04 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.55 -1.36 -0.31 -1.84 2.85 0.54 -5.02 115.26 109.56 1pve n ASN 40 Ca 0.00 -2.73 0.30 0.00 -0.11 0.00 0.00 54.58 52.04 1pve n ASN 40 Cb 0.05 0.32 0.65 0.00 1.24 0.00 0.00 39.78 42.04 1pve n ASN 40 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1pve h PRO 41 N 4.79 0.15 -0.12 1.20 0.11 -1.77 -1.11 132.00 135.26 1pve h PRO 41 Ca 0.10 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1pve h PRO 41 Cb 0.97 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1pve h PRO 41 CO 0.31 0.10 -0.15 1.96 -0.21 0.00 0.00 178.00 180.01 1pve h GLN 42 N 0.16 0.31 -0.11 1.05 4.20 -1.96 -1.91 115.11 116.86 1pve h GLN 42 Ca 0.57 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 1pve h GLN 42 Cb 1.93 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 1pve h GLN 42 CO -0.13 0.73 -0.01 1.25 -0.67 0.00 0.00 178.83 180.00 1pve h LEU 43 N -0.10 0.13 0.31 1.46 5.85 -1.70 -1.02 115.31 120.24 1pve h LEU 43 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1pve h LEU 43 Cb 0.69 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1pve h LEU 43 CO 0.04 0.17 -0.15 0.25 -0.34 0.00 0.00 178.44 178.41 1pve h LEU 44 N 0.15 -0.35 -1.53 2.25 7.12 -1.04 0.08 115.31 121.99 1pve h LEU 44 Ca 0.04 -0.17 0.14 0.00 0.13 0.00 0.00 57.88 58.02 1pve h LEU 44 Cb 0.12 0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 1pve h LEU 44 CO 0.00 0.01 0.51 1.56 -0.13 0.00 0.00 178.44 180.39 1pve h GLN 45 N -0.76 0.46 -0.28 1.25 1.08 -1.23 -0.14 115.11 115.49 1pve h GLN 45 Ca -0.04 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1pve h GLN 45 Cb 0.50 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1pve h GLN 45 CO 0.07 0.31 -0.16 1.96 -0.95 0.00 0.00 178.83 180.05 1pve h GLN 46 N 0.48 0.60 -0.76 1.46 4.20 -1.00 -2.56 115.11 117.53 1pve h GLN 46 Ca 0.37 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1pve h GLN 46 Cb 0.78 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1pve h GLN 46 CO -0.13 0.85 0.50 0.82 -0.67 0.00 0.00 178.83 180.21 1pve h ILE 47 N 0.34 1.18 -0.33 2.54 2.04 -0.23 -2.02 117.51 121.02 1pve h ILE 47 Ca 0.06 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 1pve h ILE 47 Cb 0.69 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1pve h ILE 47 CO 0.05 0.18 -0.04 0.28 0.00 0.00 0.00 178.15 178.61 1pve h SER 48 N 1.00 0.49 1.16 1.72 0.02 -0.92 -0.04 113.55 116.98 1pve h SER 48 Ca 0.28 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1pve h SER 48 Cb -0.08 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1pve h SER 48 CO -0.07 0.59 0.00 1.67 -1.14 0.00 0.00 176.83 177.89 1pve n GLN 49 N -4.25 0.15 -0.79 3.45 -0.06 -0.92 -4.01 117.38 110.95 1pve n GLN 49 Ca 0.01 0.18 0.04 0.00 -2.00 0.00 0.00 57.00 55.23 1pve n GLN 49 Cb 0.27 -1.70 0.07 0.00 -4.06 0.00 0.00 30.24 24.83 1pve n GLN 49 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1pve n HIS 50 N -1.97 0.00 0.12 3.69 8.25 -0.81 -4.96 115.22 119.55 1pve n HIS 50 Ca 0.05 -0.62 0.05 0.00 -0.26 0.00 0.00 57.72 56.94 1pve n HIS 50 Cb 0.36 -0.14 0.48 0.00 1.12 0.00 0.00 29.99 31.81 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 0.53 0.26 -0.08 -0.41 4.15 -1.16 -0.42 115.11 117.98 1pve h GLN 51 Ca -0.08 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 1pve h GLN 51 Cb 1.43 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 1pve h GLN 51 CO 0.03 0.26 -0.31 0.93 -1.93 0.00 0.00 178.83 177.80 1pve h GLU 52 N 0.26 0.15 -0.07 1.69 5.08 -1.93 -0.39 114.58 119.37 1pve h GLU 52 Ca 0.06 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1pve h GLU 52 Cb 0.12 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pve h GLU 52 CO -0.00 0.45 -0.91 0.45 -1.00 0.00 0.00 179.01 178.00 1pve h HIS 53 N 0.13 1.06 -0.37 4.33 3.86 -1.49 -2.90 115.15 119.77 1pve h HIS 53 Ca 0.02 -0.52 0.02 0.00 -1.16 0.00 0.00 60.37 58.72 1pve h HIS 53 Cb 0.63 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 1pve h HIS 53 CO 0.01 1.36 0.20 0.35 0.86 0.00 0.00 177.93 180.71 1pve h PHE 54 N 0.46 0.38 -0.47 2.45 3.57 -1.14 -0.45 116.94 121.74 1pve h PHE 54 Ca -0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1pve h PHE 54 Cb 1.56 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1pve h PHE 54 CO 0.10 0.22 0.30 0.82 -2.23 0.00 0.00 178.31 177.52 1pve h ILE 55 N 0.42 1.12 -0.09 1.41 2.04 -1.14 0.15 117.51 121.42 1pve h ILE 55 Ca 0.15 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 1pve h ILE 55 Cb 0.03 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1pve h ILE 55 CO -0.08 0.12 -0.22 1.56 0.00 0.00 0.00 178.15 179.53 1pve h GLN 56 N 0.64 0.31 -0.32 2.37 4.20 -1.26 -2.91 115.11 118.15 1pve h GLN 56 Ca 0.17 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1pve h GLN 56 Cb -0.06 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1pve h GLN 56 CO -0.04 0.82 0.03 0.52 -0.67 0.00 0.00 178.83 179.49 1pve h MET 57 N -0.15 0.48 -0.74 1.46 2.86 -0.69 -1.12 114.93 117.02 1pve h MET 57 Ca -0.00 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1pve h MET 57 Cb 0.83 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1pve h MET 57 CO 0.05 0.49 0.48 -0.07 1.06 0.00 0.00 176.91 178.92 1pve h LEU 58 N 0.46 0.67 0.00 1.22 3.38 -0.77 -2.88 115.31 117.40 1pve h LEU 58 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pve h LEU 58 Cb 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pve h LEU 58 CO 0.00 0.43 -0.66 0.78 0.09 0.00 0.00 178.44 179.08 1pve h ASN 59 N 0.76 0.00 -4.28 -0.43 2.35 -1.04 -3.44 115.58 109.49 1pve h ASN 59 Ca 0.32 -0.15 -0.52 0.00 -0.55 0.00 0.00 56.30 55.40 1pve h ASN 59 Cb 0.28 0.00 0.16 0.00 0.05 0.00 0.00 38.32 38.81 1pve h ASN 59 CO -0.11 0.07 0.28 -1.61 -1.65 0.00 0.00 177.43 174.42 1pve s GLU 60 N -3.21 1.72 0.74 0.81 2.02 -0.54 -5.00 118.70 115.24 1pve s GLU 60 Ca 0.05 1.38 -0.16 0.00 0.02 0.00 0.00 54.97 56.25 1pve s GLU 60 Cb 0.12 -1.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.48 1pve s GLU 60 CO 0.73 -2.08 0.40 -2.30 0.02 0.00 0.00 175.26 172.04 1pve n PRO 61 N -3.75 0.22 -4.40 0.39 -0.02 -1.26 -5.02 135.00 121.15 1pve n PRO 61 Ca 0.11 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.45 1pve n PRO 61 Cb 0.52 -1.73 -0.17 0.00 -0.02 0.00 0.00 33.50 32.11 1pve n PRO 61 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1pve s VAL 62 N -1.96 1.03 -0.09 -1.45 -7.23 -1.26 -5.05 120.40 104.39 1pve s VAL 62 Ca 0.63 -0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.34 1pve s VAL 62 Cb -0.34 -0.97 0.03 0.00 0.56 0.00 0.00 36.38 35.66 1pve s VAL 62 CO 0.61 0.34 0.23 -1.10 -0.31 0.00 0.00 175.10 174.87 1pve s GLN 63 N 0.89 0.24 0.00 4.82 -0.21 -1.26 -5.04 119.66 119.09 1pve s GLN 63 Ca -0.11 0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1pve s GLN 63 Cb -0.15 0.01 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1pve s GLN 63 CO 0.01 -0.09 0.06 -0.85 -2.12 0.00 0.00 175.29 172.30 1pve n GLU 64 N 3.54 0.54 -3.82 2.91 0.28 -1.26 -4.85 120.64 117.97 1pve n GLU 64 Ca -0.18 -0.06 -0.09 0.00 -0.16 0.00 0.00 57.16 56.67 1pve n GLU 64 Cb 0.56 -0.38 -0.03 0.00 1.43 0.00 0.00 31.44 33.01 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pve s ALA 65 N -0.09 -0.91 -0.30 -1.84 0.00 -1.26 -5.06 121.76 112.31 1pve s ALA 65 Ca 0.00 -0.36 0.28 0.00 0.00 0.00 0.00 51.96 51.88 1pve s ALA 65 Cb 0.00 0.90 0.98 0.00 0.00 0.00 0.00 23.12 25.00 1pve s ALA 65 CO 0.00 -0.89 1.80 0.78 0.00 0.00 0.00 175.76 177.46 1pve h GLY 66 N 2.14 0.00 0.00 0.00 0.00 -2.01 -3.48 103.07 99.73 1pve h GLY 66 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1pve h GLY 66 CO 0.32 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1pve n GLY 67 N 0.43 -0.38 0.22 4.60 0.00 -1.26 -5.03 105.19 103.77 1pve n GLY 67 Ca 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1pve n GLY 67 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pve h GLN 68 N 0.00 0.00 0.00 1.61 4.15 -2.04 -3.48 115.11 115.35 1pve h GLN 68 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pve h GLN 68 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1pve h GLN 68 CO 0.00 0.25 0.00 0.41 -1.93 0.00 0.00 178.83 177.56 1pve n GLY 69 N -0.47 -0.90 0.00 2.39 0.00 -1.26 -5.09 105.19 99.86 1pve n GLY 69 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.09 0.52 2.09 -0.02 0.00 -1.26 -4.98 105.19 101.45 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 0.57 0.00 -0.02 0.00 -1.26 -5.28 105.19 99.20 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