#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 4.64 -2.01 -3.36 113.55 114.43 1pve h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pve h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1pve h SER 2 CO 0.00 0.25 -0.07 1.41 -0.87 0.00 0.00 176.83 177.55 1pve n HIS 3 N -3.57 0.00 -3.86 4.77 -0.00 -1.26 -5.09 115.22 106.21 1pve n HIS 3 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 1pve n HIS 3 Cb 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.29 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 -0.50 0.48 0.00 -0.41 1.00 -1.26 -5.07 119.30 113.55 1pve s MET 4 Ca 0.00 -0.36 0.29 0.00 0.00 0.00 0.00 55.69 55.62 1pve s MET 4 Cb 0.00 0.20 1.59 0.00 0.00 0.00 0.00 34.83 36.63 1pve s MET 4 CO 0.00 -0.11 2.04 -0.35 0.00 0.00 0.00 175.02 176.59 1pve n PRO 5 N 1.51 0.66 -4.77 2.03 -0.04 -1.26 -1.28 135.00 131.84 1pve n PRO 5 Ca -0.22 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.00 1pve n PRO 5 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1pve n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pve s LEU 6 N -2.30 1.95 0.00 1.53 1.43 -1.26 -4.60 118.68 115.43 1pve s LEU 6 Ca 0.35 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1pve s LEU 6 Cb 0.20 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.54 1pve s LEU 6 CO 0.39 0.17 0.00 -1.84 0.23 0.00 0.00 176.35 175.29 1pve n GLU 7 N 2.95 0.98 0.18 1.70 0.28 -1.26 -4.78 120.64 120.69 1pve n GLU 7 Ca -0.17 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 56.90 1pve n GLU 7 Cb 0.54 -0.24 0.55 0.00 1.43 0.00 0.00 31.44 33.72 1pve n GLU 7 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1pve h PHE 8 N 0.00 0.15 -0.27 -1.84 0.04 -2.01 -1.80 116.94 111.21 1pve h PHE 8 Ca 0.00 -0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1pve h PHE 8 Cb 0.00 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 1pve h PHE 8 CO 0.00 0.14 -0.41 1.37 -0.60 0.00 0.00 178.31 178.81 1pve h LEU 9 N 0.15 0.83 -1.47 1.54 -0.00 -1.96 -3.32 115.31 111.09 1pve h LEU 9 Ca 0.04 -0.52 -0.05 0.00 -0.00 0.00 0.00 57.88 57.36 1pve h LEU 9 Cb 0.07 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1pve h LEU 9 CO -0.00 1.18 -0.22 0.03 -0.00 0.00 0.00 178.44 179.43 1pve h ARG 10 N 0.50 0.00 0.00 0.17 3.08 -1.67 -2.11 114.38 114.35 1pve h ARG 10 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1pve h ARG 10 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1pve h ARG 10 CO 0.10 0.22 -0.00 -0.97 -1.07 0.00 0.00 179.97 178.24 1pve h ASN 11 N 0.00 0.00 -2.39 7.04 -0.73 -1.54 -3.47 115.58 114.49 1pve h ASN 11 Ca -0.00 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.60 1pve h ASN 11 Cb 0.57 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.06 1pve h ASN 11 CO 0.03 0.00 -0.65 -1.10 -0.37 0.00 0.00 177.43 175.34 1pve s GLN 12 N -4.05 2.32 0.64 6.67 -1.52 -0.79 -5.03 119.66 117.90 1pve s GLN 12 Ca -0.04 -1.33 0.38 0.00 -1.95 0.00 0.00 55.36 52.42 1pve s GLN 12 Cb 0.12 -2.21 2.10 0.00 -0.22 0.00 0.00 33.01 32.80 1pve s GLN 12 CO 0.45 0.39 2.26 -1.35 -0.25 0.00 0.00 175.29 176.79 1pve h PRO 13 N 2.10 0.00 -0.26 2.91 0.11 -1.90 -3.27 132.00 131.69 1pve h PRO 13 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1pve h PRO 13 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1pve h PRO 13 CO 0.59 0.00 -0.58 0.37 -0.21 0.00 0.00 178.00 178.18 1pve h GLN 14 N 0.00 0.84 0.00 1.05 4.15 -1.96 -3.22 115.11 115.98 1pve h GLN 14 Ca 0.01 -0.56 -0.05 0.00 0.77 0.00 0.00 58.65 58.81 1pve h GLN 14 Cb 0.14 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1pve h GLN 14 CO -0.00 1.19 -0.25 0.35 -1.93 0.00 0.00 178.83 178.19 1pve h PHE 15 N 0.62 0.00 0.00 3.99 3.57 -1.71 0.06 116.94 123.47 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 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1pve h PHE 15 CO 0.08 0.25 0.00 1.04 -2.23 0.00 0.00 178.31 177.45 1pve n GLN 16 N -4.12 0.09 0.00 1.11 6.02 -1.21 -4.27 117.38 114.99 1pve n GLN 16 Ca -0.02 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1pve n GLN 16 Cb 0.31 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.42 0.00 -0.11 -1.09 6.02 -0.62 -4.80 117.38 115.35 1pve n GLN 17 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.08 1pve n GLN 17 Cb 0.17 -0.39 0.36 0.00 1.02 0.00 0.00 30.24 31.40 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 0.71 -0.19 -1.09 -0.00 -1.21 -1.76 114.93 111.40 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 0.54 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1pve h MET 18 CO 0.00 0.47 -0.24 0.00 -0.00 0.00 0.00 176.91 177.14 1pve h ARG 19 N 0.74 0.34 -0.82 -0.10 3.08 -1.81 -2.63 114.38 113.17 1pve h ARG 19 Ca 0.23 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1pve h ARG 19 Cb 0.02 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 1pve h ARG 19 CO -0.06 0.56 0.54 1.96 -1.07 0.00 0.00 179.97 181.91 1pve h GLN 20 N 0.31 1.04 -0.28 0.04 4.20 -1.63 -0.15 115.11 118.65 1pve h GLN 20 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1pve h GLN 20 Cb 0.59 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1pve h GLN 20 CO 0.04 0.69 0.14 0.82 -0.67 0.00 0.00 178.83 179.85 1pve h ILE 21 N 1.07 1.13 -0.09 2.54 2.04 -1.46 -3.09 117.51 119.66 1pve h ILE 21 Ca 0.31 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.65 1pve h ILE 21 Cb -0.06 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1pve h ILE 21 CO -0.08 0.14 -0.60 0.40 0.00 0.00 0.00 178.15 178.01 1pve h ILE 22 N 0.32 1.37 0.00 -0.67 1.08 -1.34 -0.05 117.51 118.23 1pve h ILE 22 Ca 0.10 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1pve h ILE 22 Cb 0.09 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1pve h ILE 22 CO -0.01 0.58 0.00 0.00 -0.69 0.00 0.00 178.15 178.03 1pve n GLN 23 N -3.89 0.45 0.00 2.37 6.02 -0.11 -1.71 117.38 120.51 1pve n GLN 23 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1pve n GLN 23 Cb 0.62 -1.39 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 -0.89 1.46 -3.74 -1.09 6.02 -1.04 -4.94 117.38 113.17 1pve n GLN 24 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.80 1pve n GLN 24 Cb 0.04 -0.85 -0.11 0.00 1.02 0.00 0.00 30.24 30.34 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 -3.00 3.77 0.59 1.08 -0.87 -0.06 -4.97 114.94 111.50 1pve s ASN 25 Ca 0.00 -3.63 0.37 0.00 -1.57 0.00 0.00 52.86 48.03 1pve s ASN 25 Cb 0.00 -1.26 1.84 0.00 -0.02 0.00 0.00 41.25 41.80 1pve s ASN 25 CO 0.00 -0.11 2.17 1.55 -2.57 0.00 0.00 177.10 178.14 1pve h PRO 26 N 5.45 0.00 0.00 -0.60 0.13 -1.58 -1.79 132.00 133.62 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 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1pve h PRO 26 CO 0.61 0.03 0.19 0.66 -0.23 0.00 0.00 178.00 179.26 1pve h SER 27 N 0.00 0.00 -0.40 1.44 4.64 -1.93 -2.24 113.55 115.06 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 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 3.46 -0.02 5.97 4.77 -0.67 -4.48 117.00 123.14 1pve n LEU 28 Ca -0.02 -1.49 -0.09 0.00 -0.03 0.00 0.00 56.01 54.38 1pve n LEU 28 Cb 0.25 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1pve n LEU 28 CO 0.15 0.75 0.74 0.25 -1.33 0.00 0.00 177.39 177.95 1pve h LEU 29 N 4.45 -0.55 -0.65 2.23 5.85 -1.56 -0.96 115.31 124.11 1pve h LEU 29 Ca 0.00 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.96 1pve h LEU 29 Cb 0.98 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1pve h LEU 29 CO 0.00 -0.22 0.07 -0.65 -0.34 0.00 0.00 178.44 177.30 1pve h PRO 30 N -0.19 0.18 0.00 5.25 0.11 -1.82 -1.67 132.00 133.85 1pve h PRO 30 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1pve h PRO 30 Cb 0.36 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1pve h PRO 30 CO -0.30 0.12 0.00 0.00 -0.21 0.00 0.00 178.00 177.61 1pve n ALA 31 N -2.72 1.68 -0.12 -0.75 0.00 -0.81 -0.78 120.51 117.01 1pve n ALA 31 Ca 0.10 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1pve n ALA 31 Cb 0.38 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.45 2.80 -0.20 0.00 7.94 -0.43 -3.59 117.00 122.07 1pve n LEU 32 Ca 0.04 -0.04 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1pve n LEU 32 Cb 0.15 -0.91 0.07 0.00 0.53 0.00 0.00 43.42 43.26 1pve n LEU 32 CO 0.12 0.88 1.06 -0.07 -1.11 0.00 0.00 177.39 178.27 1pve h LEU 33 N -0.15 0.47 -1.82 -1.96 3.38 -1.17 0.50 115.31 114.56 1pve h LEU 33 Ca -0.59 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1pve h LEU 33 Cb 1.86 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1pve h LEU 33 CO -0.13 0.32 -0.06 -0.61 0.09 0.00 0.00 178.44 178.05 1pve h GLN 34 N 0.61 0.04 0.17 1.13 -0.00 -1.16 -0.73 115.11 115.18 1pve h GLN 34 Ca 0.26 -0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.60 1pve h GLN 34 Cb 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 27.48 27.63 1pve h GLN 34 CO -0.16 0.10 -1.36 0.37 0.00 0.00 0.00 178.83 177.78 1pve h GLN 35 N 0.04 0.36 -0.78 1.69 -0.00 -1.24 -2.36 115.11 112.82 1pve h GLN 35 Ca 0.01 -0.62 0.05 0.00 -0.00 0.00 0.00 58.65 58.08 1pve h GLN 35 Cb 0.13 0.23 -0.05 0.00 0.00 0.00 0.00 27.48 27.79 1pve h GLN 35 CO 0.01 1.29 0.48 0.82 0.00 0.00 0.00 178.83 181.43 1pve h ILE 36 N 0.10 1.06 0.00 2.39 2.04 -0.79 -0.40 117.51 121.91 1pve h ILE 36 Ca -0.19 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1pve h ILE 36 Cb 2.05 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1pve h ILE 36 CO 0.22 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.15 1pve n GLY 37 N -1.31 -0.27 0.18 5.37 0.00 -0.29 -0.19 105.19 108.68 1pve n GLY 37 Ca 0.10 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1pve n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pve n ARG 38 N -1.05 2.23 0.00 1.61 1.85 -0.18 -4.54 116.66 116.58 1pve n ARG 38 Ca 0.05 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.36 1pve n ARG 38 Cb 0.03 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 30.41 1pve n ARG 38 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1pve n GLU 39 N -0.31 2.30 -3.10 2.89 0.28 -0.94 -4.97 120.64 116.79 1pve n GLU 39 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.83 1pve n GLU 39 Cb 0.17 -0.64 -0.04 0.00 1.43 0.00 0.00 31.44 32.35 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 -0.75 -0.77 -0.32 -1.84 2.85 0.74 -5.01 115.26 110.17 1pve n ASN 40 Ca 0.00 -2.79 0.34 0.00 -0.11 0.00 0.00 54.58 52.03 1pve n ASN 40 Cb 0.09 0.02 0.74 0.00 1.24 0.00 0.00 39.78 41.87 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 4.29 0.03 -0.07 1.20 0.11 -1.79 -1.01 132.00 134.76 1pve h PRO 41 Ca 0.05 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1pve h PRO 41 Cb 0.93 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1pve h PRO 41 CO 0.40 0.02 -0.12 1.96 -0.21 0.00 0.00 178.00 180.04 1pve h GLN 42 N 0.03 0.21 -0.36 1.05 4.20 -1.95 -1.14 115.11 117.15 1pve h GLN 42 Ca 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1pve h GLN 42 Cb 2.21 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.98 1pve h GLN 42 CO -0.03 0.70 0.23 1.25 -0.67 0.00 0.00 178.83 180.31 1pve h LEU 43 N -0.26 0.42 0.29 1.46 5.85 -1.74 -0.63 115.31 120.70 1pve h LEU 43 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1pve h LEU 43 Cb 0.68 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1pve h LEU 43 CO 0.03 0.31 -0.14 0.25 -0.34 0.00 0.00 178.44 178.55 1pve h LEU 44 N 0.49 -0.33 -1.80 2.25 7.12 -1.06 -0.15 115.31 121.83 1pve h LEU 44 Ca 0.13 -0.18 0.11 0.00 0.13 0.00 0.00 57.88 58.07 1pve h LEU 44 Cb -0.04 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 1pve h LEU 44 CO -0.03 0.03 0.36 1.56 -0.13 0.00 0.00 178.44 180.23 1pve h GLN 45 N -0.73 0.21 -0.19 1.25 1.08 -1.10 0.33 115.11 115.97 1pve h GLN 45 Ca -0.04 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1pve h GLN 45 Cb 0.49 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1pve h GLN 45 CO 0.07 0.14 -0.22 1.96 -0.95 0.00 0.00 178.83 179.83 1pve h GLN 46 N 0.22 0.49 -1.01 1.46 4.20 -0.92 -2.18 115.11 117.37 1pve h GLN 46 Ca 0.25 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1pve h GLN 46 Cb 0.68 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1pve h GLN 46 CO -0.05 0.85 0.66 0.82 -0.67 0.00 0.00 178.83 180.44 1pve h ILE 47 N 0.15 1.16 -0.57 2.54 2.04 -0.35 -2.47 117.51 120.01 1pve h ILE 47 Ca 0.03 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1pve h ILE 47 Cb 0.77 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1pve h ILE 47 CO 0.05 0.23 0.11 0.28 0.00 0.00 0.00 178.15 178.82 1pve h SER 48 N 1.26 0.85 0.63 1.72 0.02 -0.91 -0.30 113.55 116.82 1pve h SER 48 Ca 0.41 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1pve h SER 48 Cb 0.03 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1pve h SER 48 CO -0.13 0.85 0.00 0.00 -1.14 0.00 0.00 176.83 176.40 1pve n GLN 49 N -4.25 0.17 -0.87 3.45 6.02 -0.83 -3.65 117.38 117.43 1pve n GLN 49 Ca 0.04 0.43 0.03 0.00 -0.01 0.00 0.00 57.00 57.49 1pve n GLN 49 Cb 0.25 -1.85 0.04 0.00 1.02 0.00 0.00 30.24 29.70 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 -2.18 0.00 0.07 1.08 8.25 -0.93 -4.98 115.22 116.54 1pve n HIS 50 Ca 0.02 -0.41 0.04 0.00 -0.26 0.00 0.00 57.72 57.11 1pve n HIS 50 Cb 0.20 -0.11 0.46 0.00 1.12 0.00 0.00 29.99 31.66 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 0.48 0.38 0.00 -0.41 4.15 -1.14 -0.51 115.11 118.06 1pve h GLN 51 Ca -0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1pve h GLN 51 Cb 1.53 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.14 1pve h GLN 51 CO 0.04 0.29 -0.13 1.05 -1.93 0.00 0.00 178.83 178.16 1pve h GLU 52 N 0.38 0.00 0.18 1.69 4.11 -1.91 -0.76 114.58 118.27 1pve h GLU 52 Ca 0.10 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.20 1pve h GLU 52 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1pve h GLU 52 CO -0.01 0.13 -1.64 0.45 0.07 0.00 0.00 179.01 178.00 1pve h HIS 53 N 0.00 0.68 -0.31 2.06 3.86 -1.51 -3.35 115.15 116.57 1pve h HIS 53 Ca -0.00 -0.50 0.03 0.00 -1.16 0.00 0.00 60.37 58.75 1pve h HIS 53 Cb 0.28 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 1pve h HIS 53 CO 0.00 1.64 0.11 0.35 0.86 0.00 0.00 177.93 180.89 1pve h PHE 54 N 0.01 0.20 -0.02 2.45 3.57 -1.00 -2.30 116.94 119.85 1pve h PHE 54 Ca -0.33 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.19 1pve h PHE 54 Cb 2.02 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.72 1pve h PHE 54 CO 0.11 0.09 0.01 0.82 -2.23 0.00 0.00 178.31 177.11 1pve h ILE 55 N 0.25 1.01 -0.13 1.41 2.04 -1.33 0.93 117.51 121.70 1pve h ILE 55 Ca 0.14 -0.04 -0.18 0.00 1.00 0.00 0.00 64.86 65.78 1pve h ILE 55 Cb 0.11 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1pve h ILE 55 CO -0.14 0.01 -0.64 1.56 0.00 0.00 0.00 178.15 178.94 1pve h GLN 56 N 0.03 0.66 -0.76 2.37 1.08 -1.57 -1.36 115.11 115.56 1pve h GLN 56 Ca 0.01 -0.54 -0.03 0.00 -1.45 0.00 0.00 58.65 56.64 1pve h GLN 56 Cb 0.01 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1pve h GLN 56 CO -0.00 1.16 0.36 0.52 -0.95 0.00 0.00 178.83 179.92 1pve h MET 57 N 0.33 1.10 -0.49 1.46 2.86 -0.81 -1.57 114.93 117.80 1pve h MET 57 Ca -0.04 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1pve h MET 57 Cb 1.28 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1pve h MET 57 CO 0.13 0.86 0.25 1.25 1.06 0.00 0.00 176.91 180.47 1pve h LEU 58 N 1.07 0.60 0.05 1.22 7.12 -0.88 -3.22 115.31 121.26 1pve h LEU 58 Ca 0.26 -0.04 -0.27 0.00 0.13 0.00 0.00 57.88 57.96 1pve h LEU 58 Cb 0.13 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.08 1pve h LEU 58 CO -0.03 0.50 -1.37 0.78 -0.13 0.00 0.00 178.44 178.18 1pve h ASN 59 N 0.68 0.16 -4.03 1.25 2.35 -0.79 -3.45 115.58 111.75 1pve h ASN 59 Ca 0.17 -0.21 -0.52 0.00 -0.55 0.00 0.00 56.30 55.19 1pve h ASN 59 Cb 0.04 -0.05 0.08 0.00 0.05 0.00 0.00 38.32 38.45 1pve h ASN 59 CO -0.03 1.18 0.50 -1.83 -1.65 0.00 0.00 177.43 175.60 1pve s GLU 60 N -2.65 3.50 0.56 0.81 -1.05 -0.63 -4.99 118.70 114.25 1pve s GLU 60 Ca -0.04 1.85 -0.17 0.00 -0.15 0.00 0.00 54.97 56.45 1pve s GLU 60 Cb 0.08 -2.27 -0.05 0.00 -0.44 0.00 0.00 34.13 31.45 1pve s GLU 60 CO 0.84 -0.79 1.06 -1.25 0.95 0.00 0.00 175.26 176.07 1pve s PRO 61 N -2.88 3.42 1.02 -4.83 0.04 -1.26 -5.00 135.00 125.50 1pve s PRO 61 Ca 0.68 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1pve s PRO 61 Cb -0.30 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.39 1pve s PRO 61 CO 0.36 -0.74 1.11 0.14 0.04 0.00 0.00 177.00 177.91 1pve s VAL 62 N -2.25 1.94 0.60 -0.36 -7.23 -1.26 -5.05 120.40 106.79 1pve s VAL 62 Ca 0.66 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 60.64 1pve s VAL 62 Cb -0.17 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1pve s VAL 62 CO 0.31 0.00 0.98 0.00 -0.31 0.00 0.00 175.10 176.09 1pve n GLN 63 N -4.18 0.92 -1.67 4.82 0.00 -1.26 -5.01 117.38 111.00 1pve n GLN 63 Ca 0.07 0.36 -0.33 0.00 0.00 0.00 0.00 57.00 57.10 1pve n GLN 63 Cb 0.58 -2.18 0.06 0.00 0.00 0.00 0.00 30.24 28.69 1pve n GLN 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1pve s GLU 64 N -2.77 2.69 0.15 2.61 2.56 -1.26 -5.09 118.70 117.60 1pve s GLU 64 Ca 0.76 1.37 -0.04 0.00 0.00 0.00 0.00 54.97 57.05 1pve s GLU 64 Cb -0.42 -1.94 -0.03 0.00 2.00 0.00 0.00 34.13 33.75 1pve s GLU 64 CO 0.47 -1.33 0.15 0.00 -0.56 0.00 0.00 175.26 173.99 1pve s ALA 65 N -2.41 0.52 -0.02 6.30 0.00 -1.26 -5.09 121.76 119.79 1pve s ALA 65 Ca 0.66 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1pve s ALA 65 Cb -0.20 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1pve s ALA 65 CO 0.44 -0.56 0.69 0.41 0.00 0.00 0.00 175.76 176.74 1pve n GLY 66 N -0.15 0.21 3.83 0.00 0.00 -1.26 -5.16 105.19 102.66 1pve n GLY 66 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.09 0.31 0.00 -0.02 0.00 -1.26 -5.07 105.19 99.05 1pve n GLY 67 Ca -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.85 1.35 -3.99 1.61 1.13 -1.26 -5.11 117.38 110.26 1pve n GLN 68 Ca 0.03 -0.94 0.04 0.00 -1.94 0.00 0.00 57.00 54.19 1pve n GLN 68 Cb 0.56 -0.75 0.01 0.00 0.11 0.00 0.00 30.24 30.17 1pve n GLN 68 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1pve s GLY 69 N -0.46 -0.23 0.00 1.08 0.00 -1.26 -5.09 107.32 101.36 1pve s GLY 69 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1pve s GLY 69 CO 0.00 6.25 0.00 0.61 0.00 0.00 0.00 173.10 179.96 1pve n GLY 70 N -0.94 0.27 3.62 0.20 0.00 -1.26 -5.16 105.19 101.91 1pve n GLY 70 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 0.11 0.00 -0.02 0.00 -1.26 -5.33 105.19 98.69 1pve n GLY 71 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93