#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pve h SER 2 N 0.00 0.00 0.00 1.61 0.02 -2.07 -1.61 113.55 111.50 1pve h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pve h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pve h SER 2 CO 0.00 0.00 0.10 1.12 -1.14 0.00 0.00 176.83 176.91 1pve h HIS 3 N 0.00 0.00 -2.05 3.45 -0.00 -2.07 -3.39 115.15 111.08 1pve h HIS 3 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 1pve h HIS 3 Cb 0.32 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 27.42 1pve h HIS 3 CO 0.00 0.00 -0.52 1.41 -0.00 0.00 0.00 177.93 178.82 1pve s MET 4 N -4.06 0.31 0.00 5.12 -2.45 -0.61 -5.05 119.30 112.57 1pve s MET 4 Ca -0.04 0.41 0.17 0.00 -1.25 0.00 0.00 55.69 54.98 1pve s MET 4 Cb 0.11 -0.66 0.83 0.00 1.25 0.00 0.00 34.83 36.36 1pve s MET 4 CO 0.35 -0.68 1.51 -0.35 1.05 0.00 0.00 175.02 176.90 1pve n PRO 5 N 5.35 0.20 -1.09 4.11 -0.04 -1.26 -3.08 135.00 139.18 1pve n PRO 5 Ca -0.04 0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1pve n PRO 5 Cb 0.50 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.32 2.14 0.33 1.53 4.77 -1.26 -4.95 117.00 118.23 1pve n LEU 6 Ca 0.07 -3.20 0.13 0.00 -0.03 0.00 0.00 56.01 52.99 1pve n LEU 6 Cb 0.15 -0.28 0.69 0.00 -2.33 0.00 0.00 43.42 41.64 1pve n LEU 6 CO 0.13 1.09 1.11 1.05 -1.33 0.00 0.00 177.39 179.44 1pve h GLU 7 N 1.12 0.00 -0.04 3.23 4.11 -1.90 -1.29 114.58 119.82 1pve h GLU 7 Ca -0.07 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.37 1pve h GLU 7 Cb 1.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1pve h GLU 7 CO 0.08 0.00 0.10 0.74 0.07 0.00 0.00 179.01 180.01 1pve h PHE 8 N 0.00 0.00 0.00 2.06 0.04 -1.92 -0.88 116.94 116.24 1pve h PHE 8 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1pve h PHE 8 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1pve h PHE 8 CO 0.00 0.00 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.36 1pve h LEU 9 N 0.00 0.00 0.00 1.54 3.38 -1.64 -3.34 115.31 115.26 1pve h LEU 9 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pve h LEU 9 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pve h LEU 9 CO -0.00 0.28 0.00 -1.14 0.09 0.00 0.00 178.44 177.67 1pve n ARG 10 N -3.29 0.44 -0.65 1.13 0.63 -0.34 -3.76 116.66 110.83 1pve n ARG 10 Ca 0.01 0.03 0.04 0.00 -0.92 0.00 0.00 57.85 57.01 1pve n ARG 10 Cb 0.54 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 32.01 1pve n ARG 10 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1pve n ASN 11 N -1.24 0.93 -3.90 6.15 6.94 -1.25 -5.05 115.26 117.84 1pve n ASN 11 Ca 0.14 -2.45 -0.24 0.00 -0.02 0.00 0.00 54.58 52.00 1pve n ASN 11 Cb 0.19 -0.31 -0.17 0.00 -2.36 0.00 0.00 39.78 37.13 1pve n ASN 11 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pve s GLN 12 N -0.99 1.21 0.52 -3.83 -2.07 -1.25 -5.04 119.66 108.21 1pve s GLN 12 Ca 0.19 -0.17 0.28 0.00 -1.82 0.00 0.00 55.36 53.83 1pve s GLN 12 Cb 0.19 -1.25 1.41 0.00 -1.09 0.00 0.00 33.01 32.27 1pve s GLN 12 CO -0.04 -0.17 1.93 -1.35 -1.32 0.00 0.00 175.29 174.33 1pve h PRO 13 N 7.74 0.04 0.00 9.60 0.11 -1.97 -2.14 132.00 145.38 1pve h PRO 13 Ca -0.30 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1pve h PRO 13 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pve h PRO 13 CO 0.40 0.03 -0.02 1.96 -0.21 0.00 0.00 178.00 180.16 1pve h GLN 14 N 0.04 0.00 0.00 1.05 4.20 -1.96 -2.47 115.11 115.97 1pve h GLN 14 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1pve h GLN 14 Cb 1.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.17 1pve h GLN 14 CO -0.02 0.02 0.00 0.35 -0.67 0.00 0.00 178.83 178.51 1pve h PHE 15 N 0.00 0.00 0.00 2.96 3.57 -1.66 0.31 116.94 122.11 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 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1pve h PHE 15 CO 0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1pve n GLN 16 N -2.94 0.33 0.00 1.11 6.02 -0.93 -4.45 117.38 116.52 1pve n GLN 16 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1pve n GLN 16 Cb 0.39 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.33 0.00 -0.15 -1.09 6.02 -0.61 -4.67 117.38 115.56 1pve n GLN 17 Ca 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 1pve n GLN 17 Cb 0.26 -0.60 0.38 0.00 1.02 0.00 0.00 30.24 31.31 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 0.66 -0.07 -1.09 -0.00 -1.20 -1.50 114.93 111.73 1pve h MET 18 Ca 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.70 59.58 1pve h MET 18 Cb 0.98 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.42 1pve h MET 18 CO 0.00 0.44 -0.34 0.00 -0.00 0.00 0.00 176.91 177.01 1pve h ARG 19 N 0.68 0.14 -0.53 -0.10 3.08 -1.82 -2.44 114.38 113.39 1pve h ARG 19 Ca 0.29 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1pve h ARG 19 Cb 0.26 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1pve h ARG 19 CO -0.09 0.46 0.28 1.96 -1.07 0.00 0.00 179.97 181.51 1pve h GLN 20 N 0.12 0.73 -0.45 0.04 4.20 -1.54 -0.16 115.11 118.05 1pve h GLN 20 Ca 0.02 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1pve h GLN 20 Cb 0.66 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1pve h GLN 20 CO 0.05 0.55 -0.04 0.82 -0.67 0.00 0.00 178.83 179.54 1pve h ILE 21 N 0.74 1.27 -0.04 2.54 2.04 -1.42 -3.23 117.51 119.41 1pve h ILE 21 Ca 0.19 -1.11 -0.23 0.00 1.00 0.00 0.00 64.86 64.71 1pve h ILE 21 Cb 0.04 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1pve h ILE 21 CO -0.03 0.38 -0.90 0.40 0.00 0.00 0.00 178.15 178.01 1pve h ILE 22 N 0.67 1.35 0.00 -0.67 1.08 -1.31 -0.63 117.51 118.00 1pve h ILE 22 Ca 0.12 -2.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.32 1pve h ILE 22 Cb 0.55 2.28 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1pve h ILE 22 CO 0.03 0.69 0.00 0.00 -0.69 0.00 0.00 178.15 178.18 1pve n GLN 23 N -3.82 0.00 0.00 2.37 3.00 -0.11 -1.93 117.38 116.90 1pve n GLN 23 Ca -0.07 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1pve n GLN 23 Cb 0.81 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.55 1pve n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pve n GLN 24 N -1.50 2.55 -3.51 -1.09 10.64 -1.19 -4.90 117.38 118.38 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 0.03 -0.91 -0.10 0.00 -0.86 0.00 0.00 30.24 28.40 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 -1.57 0.91 0.27 2.61 4.13 -0.25 -5.00 115.26 116.36 1pve n ASN 25 Ca 0.00 -2.73 0.13 0.00 1.68 0.00 0.00 54.58 53.65 1pve n ASN 25 Cb 0.27 -0.63 0.79 0.00 -1.54 0.00 0.00 39.78 38.67 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 5.23 0.00 0.00 3.52 0.13 -1.62 -1.87 132.00 137.40 1pve h PRO 26 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 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 0.52 0.07 0.06 0.77 -0.23 0.00 0.00 178.00 179.18 1pve h SER 27 N 0.00 0.00 -0.18 1.44 0.02 -1.95 -2.04 113.55 110.85 1pve h SER 27 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pve h SER 27 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1pve h SER 27 CO 0.01 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.88 1pve n LEU 28 N -2.37 2.46 -0.09 5.07 4.77 -0.70 -4.32 117.00 121.82 1pve n LEU 28 Ca -0.02 -0.96 -0.06 0.00 -0.03 0.00 0.00 56.01 54.94 1pve n LEU 28 Cb 0.10 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1pve n LEU 28 CO 0.11 0.48 0.79 0.25 -1.33 0.00 0.00 177.39 177.69 1pve h LEU 29 N 3.45 -0.33 -0.65 2.23 5.85 -1.55 -0.46 115.31 123.85 1pve h LEU 29 Ca 0.00 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.96 1pve h LEU 29 Cb 0.75 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.89 1pve h LEU 29 CO 0.00 -0.12 0.04 -0.65 -0.34 0.00 0.00 178.44 177.37 1pve h PRO 30 N -0.02 0.15 0.00 5.25 0.11 -1.83 -1.12 132.00 134.54 1pve h PRO 30 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1pve h PRO 30 Cb 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1pve h PRO 30 CO -0.34 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 177.54 1pve n ALA 31 N -2.77 1.54 -0.09 -0.75 0.00 -0.77 -0.91 120.51 116.75 1pve n ALA 31 Ca 0.10 0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1pve n ALA 31 Cb 0.38 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.02 2.74 -0.22 0.00 7.94 -0.25 -2.97 117.00 122.22 1pve n LEU 32 Ca 0.02 -0.03 -0.03 0.00 -1.11 0.00 0.00 56.01 54.86 1pve n LEU 32 Cb 0.18 -0.90 0.08 0.00 0.53 0.00 0.00 43.42 43.31 1pve n LEU 32 CO 0.16 0.89 1.08 -0.07 -1.11 0.00 0.00 177.39 178.34 1pve h LEU 33 N 0.02 0.53 -1.43 -1.96 3.38 -1.09 0.52 115.31 115.28 1pve h LEU 33 Ca -0.53 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1pve h LEU 33 Cb 1.95 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1pve h LEU 33 CO -0.03 0.35 0.41 -0.61 0.09 0.00 0.00 178.44 178.65 1pve h GLN 34 N 0.66 0.72 0.02 1.13 4.15 -1.19 -0.86 115.11 119.75 1pve h GLN 34 Ca 0.28 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.40 1pve h GLN 34 Cb 0.15 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.68 1pve h GLN 34 CO -0.16 0.48 -1.02 0.37 -1.93 0.00 0.00 178.83 176.56 1pve h GLN 35 N 0.75 0.54 -0.93 1.69 4.15 -1.14 -2.18 115.11 117.98 1pve h GLN 35 Ca 0.24 -0.60 0.03 0.00 0.77 0.00 0.00 58.65 59.09 1pve h GLN 35 Cb 0.05 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1pve h GLN 35 CO -0.06 1.22 0.60 0.82 -1.93 0.00 0.00 178.83 179.48 1pve h ILE 36 N 0.29 1.16 -0.05 2.39 2.04 -0.81 -2.29 117.51 120.25 1pve h ILE 36 Ca -0.11 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1pve h ILE 36 Cb 1.67 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1pve h ILE 36 CO 0.19 0.21 0.04 1.23 0.00 0.00 0.00 178.15 179.82 1pve h GLY 37 N 1.17 0.00 0.62 5.37 0.00 -0.75 0.25 103.07 109.73 1pve h GLY 37 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 1pve h GLY 37 CO -0.12 0.00 -0.31 3.21 0.00 0.00 0.00 176.54 179.32 1pve h ARG 38 N 0.00 0.28 0.00 4.80 2.47 -0.85 -3.30 114.38 117.79 1pve h ARG 38 Ca 0.02 -0.25 -0.25 0.00 -1.26 0.00 0.00 59.98 58.24 1pve h ARG 38 Cb 0.09 0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 28.43 1pve h ARG 38 CO -0.00 0.91 -1.96 0.39 0.56 0.00 0.00 179.97 179.87 1pve n GLU 39 N -4.45 0.66 -3.02 0.04 -0.58 -1.01 -4.70 120.64 107.58 1pve n GLU 39 Ca -0.09 0.08 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 1pve n GLU 39 Cb 0.51 -1.64 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1pve n GLU 39 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1pve n ASN 40 N -2.77 -0.46 0.19 1.62 4.13 0.87 -5.00 115.26 113.84 1pve n ASN 40 Ca -0.20 -3.20 0.18 0.00 1.68 0.00 0.00 54.58 53.03 1pve n ASN 40 Cb 0.97 0.32 0.82 0.00 -1.54 0.00 0.00 39.78 40.35 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 3.18 0.00 -0.17 3.52 0.13 -1.62 -0.61 132.00 136.43 1pve h PRO 41 Ca 0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1pve h PRO 41 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1pve h PRO 41 CO 0.37 0.00 -0.50 1.96 -0.23 0.00 0.00 178.00 179.60 1pve h GLN 42 N 0.00 0.63 -0.10 0.86 4.20 -1.92 -1.26 115.11 117.53 1pve h GLN 42 Ca 0.10 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.28 1pve h GLN 42 Cb 0.57 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1pve h GLN 42 CO -0.00 1.08 -0.28 1.25 -0.67 0.00 0.00 178.83 180.21 1pve h LEU 43 N 0.30 0.17 0.21 1.46 5.85 -1.62 -2.19 115.31 119.49 1pve h LEU 43 Ca -0.02 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1pve h LEU 43 Cb 1.12 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1pve h LEU 43 CO 0.11 0.46 -0.10 0.25 -0.34 0.00 0.00 178.44 178.82 1pve h LEU 44 N 0.16 -0.24 -1.69 2.25 7.12 -1.05 0.41 115.31 122.27 1pve h LEU 44 Ca 0.02 -0.25 0.19 0.00 0.13 0.00 0.00 57.88 57.96 1pve h LEU 44 Cb 0.59 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.73 1pve h LEU 44 CO 0.04 0.16 0.54 1.56 -0.13 0.00 0.00 178.44 180.61 1pve h GLN 45 N -0.68 0.27 -0.00 1.25 4.20 -1.27 -0.35 115.11 118.53 1pve h GLN 45 Ca -0.03 -0.02 -0.27 0.00 0.06 0.00 0.00 58.65 58.40 1pve h GLN 45 Cb 0.48 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.22 1pve h GLN 45 CO 0.05 0.18 -1.04 1.96 -0.67 0.00 0.00 178.83 179.31 1pve h GLN 46 N 0.28 0.71 -0.99 1.46 4.20 -1.19 -3.11 115.11 116.48 1pve h GLN 46 Ca 0.39 -0.76 0.04 0.00 0.06 0.00 0.00 58.65 58.39 1pve h GLN 46 Cb 1.12 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 1pve h GLN 46 CO -0.10 1.33 0.64 0.82 -0.67 0.00 0.00 178.83 180.85 1pve h ILE 47 N 0.40 1.15 0.00 2.54 2.04 -0.17 -1.74 117.51 121.73 1pve h ILE 47 Ca -0.13 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1pve h ILE 47 Cb 1.70 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1pve h ILE 47 CO 0.21 0.22 0.00 0.28 0.00 0.00 0.00 178.15 178.86 1pve h SER 48 N 1.22 0.00 0.16 1.72 0.02 -1.10 -0.21 113.55 115.37 1pve h SER 48 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1pve h SER 48 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1pve h SER 48 CO -0.13 0.00 -0.55 0.00 -1.14 0.00 0.00 176.83 175.01 1pve n GLN 49 N -2.87 0.57 -0.91 3.45 6.02 -0.68 -4.47 117.38 118.48 1pve n GLN 49 Ca -0.01 -0.42 0.01 0.00 -0.01 0.00 0.00 57.00 56.57 1pve n GLN 49 Cb 0.15 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.85 0.00 0.05 1.08 8.25 -0.71 -5.00 115.22 118.04 1pve n HIS 50 Ca 0.08 -0.22 0.03 0.00 -0.26 0.00 0.00 57.72 57.36 1pve n HIS 50 Cb 0.38 -0.05 0.41 0.00 1.12 0.00 0.00 29.99 31.85 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 0.39 0.43 0.00 -0.41 4.15 -1.29 -0.26 115.11 118.13 1pve h GLN 51 Ca -0.11 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.21 1pve h GLN 51 Cb 1.58 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 1pve h GLN 51 CO 0.03 0.36 -0.22 0.93 -1.93 0.00 0.00 178.83 178.00 1pve h GLU 52 N 0.44 0.00 0.23 1.69 5.08 -1.95 -0.57 114.58 119.50 1pve h GLU 52 Ca 0.11 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.14 1pve h GLU 52 Cb 0.09 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.38 1pve h GLU 52 CO -0.01 0.22 -1.43 0.45 -1.00 0.00 0.00 179.01 177.24 1pve h HIS 53 N 0.00 0.99 0.20 4.33 3.86 -1.46 -3.25 115.15 119.81 1pve h HIS 53 Ca -0.00 -0.71 -0.01 0.00 -1.16 0.00 0.00 60.37 58.49 1pve h HIS 53 Cb 0.41 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1pve h HIS 53 CO 0.00 1.55 -0.10 0.35 0.86 0.00 0.00 177.93 180.58 1pve h PHE 54 N 0.15 -0.27 -0.23 2.45 3.57 -1.10 -2.68 116.94 118.83 1pve h PHE 54 Ca -0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 1pve h PHE 54 Cb 2.12 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.94 1pve h PHE 54 CO 0.13 -0.17 0.11 0.82 -2.23 0.00 0.00 178.31 176.98 1pve h ILE 55 N -0.28 1.08 -0.32 1.41 2.04 -1.26 1.00 117.51 121.17 1pve h ILE 55 Ca -0.02 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 1pve h ILE 55 Cb 0.22 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1pve h ILE 55 CO 0.04 0.09 -0.47 1.56 0.00 0.00 0.00 178.15 179.36 1pve h GLN 56 N 0.31 0.88 -0.18 2.37 4.20 -1.57 -0.78 115.11 120.34 1pve h GLN 56 Ca 0.08 -0.51 -0.19 0.00 0.06 0.00 0.00 58.65 58.09 1pve h GLN 56 Cb 0.02 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1pve h GLN 56 CO -0.01 1.15 -0.65 0.52 -0.67 0.00 0.00 178.83 179.17 1pve h MET 57 N 0.69 0.66 -0.73 1.46 2.86 -1.00 -1.53 114.93 117.35 1pve h MET 57 Ca 0.04 -0.47 0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1pve h MET 57 Cb 1.07 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.74 1pve h MET 57 CO 0.11 1.09 0.38 1.25 1.06 0.00 0.00 176.91 180.80 1pve h LEU 58 N 0.48 0.52 -0.39 1.22 7.12 -0.87 -2.68 115.31 120.71 1pve h LEU 58 Ca -0.01 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1pve h LEU 58 Cb 1.23 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1pve h LEU 58 CO 0.13 0.30 0.00 0.78 -0.13 0.00 0.00 178.44 179.52 1pve h ASN 59 N 0.65 0.00 -4.25 1.25 2.35 -0.96 -3.46 115.58 111.16 1pve h ASN 59 Ca 0.36 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.58 1pve h ASN 59 Cb 0.35 0.00 0.17 0.00 0.05 0.00 0.00 38.32 38.89 1pve h ASN 59 CO -0.26 0.00 0.29 -1.83 -1.65 0.00 0.00 177.43 173.99 1pve s GLU 60 N -3.30 1.60 0.57 0.81 -1.05 -0.59 -4.95 118.70 111.79 1pve s GLU 60 Ca 0.06 1.54 -0.20 0.00 -0.15 0.00 0.00 54.97 56.21 1pve s GLU 60 Cb 0.07 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.93 1pve s GLU 60 CO 0.61 -2.20 1.30 -1.25 0.95 0.00 0.00 175.26 174.67 1pve s PRO 61 N -4.48 3.02 0.00 -4.83 0.04 -1.26 -4.94 135.00 122.56 1pve s PRO 61 Ca 0.68 2.09 0.29 0.00 0.04 0.00 0.00 61.00 64.10 1pve s PRO 61 Cb -0.23 -2.12 1.23 0.00 0.04 0.00 0.00 34.50 33.41 1pve s PRO 61 CO 0.54 -1.24 1.85 1.33 0.04 0.00 0.00 177.00 179.52 1pve n VAL 62 N -1.28 0.00 -2.38 -0.36 0.24 -1.26 -4.05 118.33 109.24 1pve n VAL 62 Ca 0.12 -0.14 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 1pve n VAL 62 Cb 0.47 0.14 0.06 0.00 -1.47 0.00 0.00 33.84 33.04 1pve n VAL 62 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1pve n GLN 63 N -0.44 1.72 0.00 7.34 7.27 -1.26 -4.97 117.38 127.04 1pve n GLN 63 Ca 0.18 -3.26 0.00 0.00 0.07 0.00 0.00 57.00 53.99 1pve n GLN 63 Cb 0.29 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.57 1pve n GLN 63 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1pve n GLU 64 N -0.43 0.00 0.16 3.69 2.13 -1.26 -4.00 120.64 120.94 1pve n GLU 64 Ca 0.17 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.11 1pve n GLU 64 Cb 0.91 0.00 0.59 0.00 0.27 0.00 0.00 31.44 33.21 1pve n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pve n ALA 65 N 0.77 1.14 0.00 4.31 0.00 -1.26 -4.72 120.51 120.76 1pve n ALA 65 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1pve n ALA 65 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 -1.09 0.50 0.00 0.00 0.00 -1.26 -2.19 105.19 101.16 1pve n GLY 66 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.05 1.20 0.30 -0.02 0.00 -0.10 -4.97 105.19 101.56 1pve n GLY 67 Ca 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 46.02 45.35 1pve n GLY 67 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1pve h GLN 68 N 0.00 0.00 0.00 1.61 3.07 -2.03 -2.29 115.11 115.47 1pve h GLN 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1pve h GLN 68 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1pve h GLN 68 CO 0.00 0.00 -0.99 0.41 0.09 0.00 0.00 178.83 178.34 1pve n GLY 69 N -1.15 -1.03 0.00 0.06 0.00 -1.26 -5.08 105.19 96.73 1pve n GLY 69 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 1.49 1.56 0.00 -0.02 0.00 -0.86 -5.20 105.19 102.16 1pve n GLY 70 Ca 0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.31 -1.57 0.00 -0.02 0.00 -1.26 -0.92 105.19 100.11 1pve n GLY 71 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93