#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 0.13 -4.08 1.61 3.41 -1.26 -5.11 113.62 108.32 1pve n SER 2 Ca 0.00 -0.83 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 1pve n SER 2 Cb 0.00 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 63.89 1pve n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1pve s HIS 3 N -0.03 0.68 0.15 7.33 0.09 -1.26 -5.19 115.29 117.05 1pve s HIS 3 Ca 0.00 -1.06 -0.07 0.00 -0.00 0.00 0.00 55.06 53.93 1pve s HIS 3 Cb 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 32.58 32.23 1pve s HIS 3 CO 0.00 -0.57 0.21 -1.64 -0.00 0.00 0.00 174.74 172.74 1pve s MET 4 N -4.01 1.07 1.22 1.40 1.00 -1.26 -5.18 119.30 113.54 1pve s MET 4 Ca 0.20 -1.23 -0.19 0.00 0.00 0.00 0.00 55.69 54.47 1pve s MET 4 Cb 0.06 0.34 0.29 0.00 0.00 0.00 0.00 34.83 35.52 1pve s MET 4 CO 0.00 -0.36 1.07 -1.25 0.00 0.00 0.00 175.02 174.47 1pve s PRO 5 N -3.98 -1.38 -0.56 2.03 0.04 -1.26 -4.38 135.00 125.50 1pve s PRO 5 Ca 0.18 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1pve s PRO 5 Cb 0.05 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 33.02 1pve s PRO 5 CO -0.00 -3.85 0.00 1.28 0.04 0.00 0.00 177.00 174.47 1pve n LEU 6 N -4.88 0.06 -0.11 -3.56 4.77 -1.26 -4.89 117.00 107.12 1pve n LEU 6 Ca 0.12 0.13 0.20 0.00 -0.03 0.00 0.00 56.01 56.42 1pve n LEU 6 Cb 0.59 -1.99 0.61 0.00 -2.33 0.00 0.00 43.42 40.30 1pve n LEU 6 CO 0.47 -0.72 1.21 -0.33 -1.33 0.00 0.00 177.39 176.68 1pve h GLU 7 N 0.19 0.18 0.00 3.23 4.39 -2.00 -2.16 114.58 118.42 1pve h GLU 7 Ca -0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1pve h GLU 7 Cb 0.79 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1pve h GLU 7 CO 0.16 0.12 0.00 0.27 -1.16 0.00 0.00 179.01 178.40 1pve h PHE 8 N 0.19 0.00 0.00 4.33 -5.15 -1.96 -2.23 116.94 112.12 1pve h PHE 8 Ca 0.35 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 58.06 1pve h PHE 8 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.25 1pve h PHE 8 CO -0.00 0.00 -0.28 -0.07 -2.00 0.00 0.00 178.31 175.96 1pve h LEU 9 N 0.00 0.00 -0.61 2.10 3.38 -1.80 -3.44 115.31 114.94 1pve h LEU 9 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pve h LEU 9 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pve h LEU 9 CO 0.00 0.28 0.08 -2.11 0.09 0.00 0.00 178.44 176.79 1pve n ARG 10 N -3.17 0.06 -0.49 1.13 1.85 -0.84 -1.52 116.66 113.67 1pve n ARG 10 Ca 0.03 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 1pve n ARG 10 Cb 0.64 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1pve n ARG 10 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1pve n ASN 11 N -1.80 0.00 -4.76 2.89 5.15 -1.26 -4.93 115.26 110.55 1pve n ASN 11 Ca -0.01 -1.76 -0.36 0.00 -0.60 0.00 0.00 54.58 51.85 1pve n ASN 11 Cb 0.10 -0.15 0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1pve n ASN 11 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1pve s GLN 12 N 0.00 3.08 0.45 1.20 -0.21 -0.58 -4.79 119.66 118.81 1pve s GLN 12 Ca 0.00 1.81 0.21 0.00 0.02 0.00 0.00 55.36 57.40 1pve s GLN 12 Cb 0.00 -1.98 1.20 0.00 1.00 0.00 0.00 33.01 33.23 1pve s GLN 12 CO 0.00 -1.12 1.87 -1.35 -2.12 0.00 0.00 175.29 172.57 1pve h PRO 13 N 1.02 0.27 0.18 2.91 0.11 -2.00 -0.90 132.00 133.59 1pve h PRO 13 Ca -0.50 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.28 1pve h PRO 13 Cb 1.29 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1pve h PRO 13 CO 0.56 0.18 -1.46 1.96 -0.21 0.00 0.00 178.00 179.03 1pve h GLN 14 N 0.28 0.37 0.00 1.05 4.20 -1.96 -3.34 115.11 115.71 1pve h GLN 14 Ca 0.45 -0.63 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1pve h GLN 14 Cb 1.30 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1pve h GLN 14 CO -0.13 1.28 -0.23 0.35 -0.67 0.00 0.00 178.83 179.43 1pve h PHE 15 N 0.10 0.00 0.00 2.96 3.04 -1.51 0.55 116.94 122.08 1pve h PHE 15 Ca -0.23 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.72 1pve h PHE 15 Cb 2.07 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.58 1pve h PHE 15 CO 0.09 0.23 0.00 1.96 -2.02 0.00 0.00 178.31 178.57 1pve h GLN 16 N 0.00 0.00 0.00 1.11 4.20 -1.36 -3.39 115.11 115.67 1pve h GLN 16 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pve h GLN 16 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1pve h GLN 16 CO 0.03 0.00 -0.53 1.04 -0.67 0.00 0.00 178.83 178.70 1pve n GLN 17 N -2.86 0.00 -0.08 1.46 6.02 -0.31 -4.75 117.38 116.85 1pve n GLN 17 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.06 1pve n GLN 17 Cb 0.10 -0.30 0.46 0.00 1.02 0.00 0.00 30.24 31.52 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 0.48 -0.36 -1.09 -0.00 -1.18 -1.52 114.93 111.27 1pve h MET 18 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.70 59.59 1pve h MET 18 Cb 0.53 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.00 1pve h MET 18 CO 0.00 0.32 -0.13 0.00 -0.00 0.00 0.00 176.91 177.10 1pve h ARG 19 N 0.50 0.63 0.00 -0.10 3.08 -1.79 -2.62 114.38 114.08 1pve h ARG 19 Ca 0.26 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1pve h ARG 19 Cb 0.37 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1pve h ARG 19 CO -0.07 0.74 -0.17 1.96 -1.07 0.00 0.00 179.97 181.36 1pve h GLN 20 N 0.58 0.00 -0.24 0.04 4.20 -1.57 -0.26 115.11 117.85 1pve h GLN 20 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1pve h GLN 20 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1pve h GLN 20 CO 0.03 0.17 -0.04 0.82 -0.67 0.00 0.00 178.83 179.15 1pve h ILE 21 N 0.00 1.27 -0.24 2.54 2.04 -1.44 -3.23 117.51 118.45 1pve h ILE 21 Ca -0.00 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.72 1pve h ILE 21 Cb 0.31 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1pve h ILE 21 CO 0.02 0.31 -0.42 0.40 0.00 0.00 0.00 178.15 178.46 1pve h ILE 22 N 0.21 1.30 0.00 -0.67 1.08 -1.32 0.05 117.51 118.16 1pve h ILE 22 Ca 0.06 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.94 1pve h ILE 22 Cb 0.48 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 1pve h ILE 22 CO 0.02 0.50 0.00 0.00 -0.69 0.00 0.00 178.15 177.98 1pve n GLN 23 N -4.02 0.40 0.00 2.37 6.02 -0.16 -1.70 117.38 120.28 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 0.53 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 1.08 -3.64 -1.09 6.02 -1.07 -4.94 117.38 112.85 1pve n GLN 24 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 1pve n GLN 24 Cb 0.03 -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 0.09 -1.01 0.00 0.00 177.06 176.14 1pve n ASN 25 N -1.64 1.85 0.28 1.08 4.13 -0.02 -4.99 115.26 115.95 1pve n ASN 25 Ca 0.00 -2.95 0.14 0.00 1.68 0.00 0.00 54.58 53.45 1pve n ASN 25 Cb 0.26 -0.68 0.81 0.00 -1.54 0.00 0.00 39.78 38.64 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 -1.56 -2.02 132.00 137.30 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 0.07 0.09 0.77 -0.23 0.00 0.00 178.00 179.31 1pve h SER 27 N 0.00 0.00 -0.16 1.44 0.02 -1.94 -1.95 113.55 110.97 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 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 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 -2.48 2.39 -0.08 5.07 4.77 -0.76 -4.34 117.00 121.57 1pve n LEU 28 Ca -0.02 -0.92 -0.07 0.00 -0.03 0.00 0.00 56.01 54.98 1pve n LEU 28 Cb 0.13 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1pve n LEU 28 CO 0.12 0.46 0.80 0.25 -1.33 0.00 0.00 177.39 177.69 1pve h LEU 29 N 3.39 -0.31 -0.65 2.23 5.85 -1.54 -0.77 115.31 123.51 1pve h LEU 29 Ca 0.00 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1pve h LEU 29 Cb 0.73 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 1pve h LEU 29 CO 0.00 -0.11 0.07 -0.65 -0.34 0.00 0.00 178.44 177.40 1pve h PRO 30 N -0.02 0.17 0.00 5.25 0.11 -1.83 -1.12 132.00 134.57 1pve h PRO 30 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1pve h PRO 30 Cb 0.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1pve h PRO 30 CO -0.32 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.58 1pve n ALA 31 N -2.74 1.54 -0.12 -0.75 0.00 -0.76 -0.81 120.51 116.88 1pve n ALA 31 Ca 0.11 0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 1pve n ALA 31 Cb 0.39 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 2.21 -0.20 0.00 7.94 -0.37 -3.20 117.00 121.37 1pve n LEU 32 Ca 0.02 -0.09 -0.03 0.00 -1.11 0.00 0.00 56.01 54.80 1pve n LEU 32 Cb 0.18 -0.56 0.07 0.00 0.53 0.00 0.00 43.42 43.64 1pve n LEU 32 CO 0.16 0.82 1.06 -0.07 -1.11 0.00 0.00 177.39 178.25 1pve h LEU 33 N 0.00 0.48 -1.88 -1.96 3.38 -1.08 0.82 115.31 115.07 1pve h LEU 33 Ca -0.56 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1pve h LEU 33 Cb 1.99 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1pve h LEU 33 CO -0.05 0.32 -0.06 -0.61 0.09 0.00 0.00 178.44 178.13 1pve h GLN 34 N 0.61 0.00 0.23 1.13 5.75 -1.14 -0.64 115.11 121.05 1pve h GLN 34 Ca 0.25 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.43 1pve h GLN 34 Cb 0.13 0.00 0.04 0.00 1.07 0.00 0.00 27.48 28.72 1pve h GLN 34 CO -0.16 0.06 -1.41 0.37 -2.65 0.00 0.00 178.83 175.05 1pve h GLN 35 N 0.00 0.55 -0.85 1.69 4.15 -1.25 -3.14 115.11 116.26 1pve h GLN 35 Ca -0.00 -0.90 0.05 0.00 0.77 0.00 0.00 58.65 58.57 1pve h GLN 35 Cb 0.11 0.33 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 1pve h GLN 35 CO 0.01 1.43 0.56 0.82 -1.93 0.00 0.00 178.83 179.71 1pve h ILE 36 N 0.14 1.10 0.00 2.39 2.04 -0.68 -0.89 117.51 121.61 1pve h ILE 36 Ca -0.24 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1pve h ILE 36 Cb 2.10 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1pve h ILE 36 CO 0.27 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.21 1pve n GLY 37 N -1.41 -0.07 0.00 5.37 0.00 -0.27 -0.43 105.19 108.38 1pve n GLY 37 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 1.45 0.06 1.61 5.12 -0.48 -4.46 116.66 118.96 1pve n ARG 38 Ca 0.02 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.83 1pve n ARG 38 Cb 0.01 -0.90 -0.13 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.10 -1.03 5.56 5.08 -1.06 -3.42 114.58 119.81 1pve h GLU 39 Ca 0.00 -0.17 -0.35 0.00 -1.00 0.00 0.00 59.36 57.84 1pve h GLU 39 Cb 0.79 0.06 -0.24 0.00 0.50 0.00 0.00 28.75 29.86 1pve h GLU 39 CO 0.00 0.99 -0.73 -1.71 -1.00 0.00 0.00 179.01 176.56 1pve n ASN 40 N -3.36 -1.83 0.32 1.42 2.85 0.43 -5.04 115.26 110.05 1pve n ASN 40 Ca -0.07 -2.95 0.21 0.00 -0.11 0.00 0.00 54.58 51.65 1pve n ASN 40 Cb 0.99 0.83 1.10 0.00 1.24 0.00 0.00 39.78 43.94 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 4.36 0.00 0.18 1.20 0.13 -1.74 -1.24 132.00 134.90 1pve h PRO 41 Ca -0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1pve h PRO 41 Cb 0.99 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.13 1pve h PRO 41 CO 0.32 0.00 -1.51 -0.56 -0.23 0.00 0.00 178.00 176.02 1pve h GLN 42 N 0.00 0.39 -0.16 0.86 3.07 -1.95 -3.07 115.11 114.26 1pve h GLN 42 Ca 0.00 -0.66 0.05 0.00 0.09 0.00 0.00 58.65 58.12 1pve h GLN 42 Cb 0.08 0.25 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1pve h GLN 42 CO 0.00 1.29 0.13 1.25 0.09 0.00 0.00 178.83 181.59 1pve h LEU 43 N 0.11 0.00 0.06 0.06 5.85 -1.59 -0.87 115.31 118.93 1pve h LEU 43 Ca -0.25 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1pve h LEU 43 Cb 2.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1pve h LEU 43 CO 0.21 0.00 -0.03 0.25 -0.34 0.00 0.00 178.44 178.53 1pve h LEU 44 N 0.00 -0.07 -1.61 2.25 7.12 -1.46 0.58 115.31 122.12 1pve h LEU 44 Ca 0.07 -0.49 0.12 0.00 0.13 0.00 0.00 57.88 57.71 1pve h LEU 44 Cb 0.33 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.44 1pve h LEU 44 CO -0.00 0.49 0.45 1.56 -0.13 0.00 0.00 178.44 180.80 1pve h GLN 45 N -0.66 0.41 -0.11 1.25 4.20 -1.41 0.70 115.11 119.49 1pve h GLN 45 Ca -0.01 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1pve h GLN 45 Cb 0.56 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1pve h GLN 45 CO 0.01 0.27 -0.46 1.96 -0.67 0.00 0.00 178.83 179.95 1pve h GLN 46 N 0.42 0.50 -0.90 1.46 4.20 -1.01 -2.62 115.11 117.15 1pve h GLN 46 Ca 0.32 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1pve h GLN 46 Cb 0.67 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1pve h GLN 46 CO -0.09 1.02 0.59 0.82 -0.67 0.00 0.00 178.83 180.50 1pve h ILE 47 N 0.09 1.17 -0.20 2.54 2.04 -0.52 -2.44 117.51 120.18 1pve h ILE 47 Ca -0.03 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1pve h ILE 47 Cb 1.10 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1pve h ILE 47 CO 0.10 0.21 -0.12 0.28 0.00 0.00 0.00 178.15 178.62 1pve h SER 48 N 1.15 0.30 0.93 1.72 0.02 -0.84 -0.15 113.55 116.68 1pve h SER 48 Ca 0.35 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1pve h SER 48 Cb -0.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1pve h SER 48 CO -0.10 0.45 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 1pve n GLN 49 N -4.26 0.10 -0.84 3.45 6.02 -0.95 -4.11 117.38 116.80 1pve n GLN 49 Ca -0.00 0.19 0.02 0.00 -0.01 0.00 0.00 57.00 57.20 1pve n GLN 49 Cb 0.28 -1.64 0.02 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 -1.82 0.00 0.05 1.08 8.25 -0.67 -5.00 115.22 117.11 1pve n HIS 50 Ca 0.05 -0.28 0.04 0.00 -0.26 0.00 0.00 57.72 57.27 1pve n HIS 50 Cb 0.30 -0.10 0.45 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.41 -0.41 4.15 -1.21 -0.06 115.11 117.99 1pve h GLN 51 Ca -0.08 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 1pve h GLN 51 Cb 1.55 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1pve h GLN 51 CO 0.04 0.32 0.01 0.93 -1.93 0.00 0.00 178.83 178.20 1pve h GLU 52 N 0.44 0.71 -0.09 1.69 5.08 -1.94 -1.61 114.58 118.87 1pve h GLU 52 Ca 0.12 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1pve h GLU 52 Cb 0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1pve h GLU 52 CO -0.02 0.79 -0.35 0.45 -1.00 0.00 0.00 179.01 178.88 1pve h HIS 53 N 0.55 0.19 -0.07 4.33 3.86 -1.52 -2.19 115.15 120.30 1pve h HIS 53 Ca 0.12 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1pve h HIS 53 Cb 0.46 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 1pve h HIS 53 CO 0.04 0.51 0.03 0.35 0.86 0.00 0.00 177.93 179.71 1pve h PHE 54 N 0.15 0.10 -1.00 2.45 3.57 -0.91 -2.94 116.94 118.37 1pve h PHE 54 Ca 0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1pve h PHE 54 Cb 0.70 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 1pve h PHE 54 CO 0.01 0.22 0.65 0.82 -2.23 0.00 0.00 178.31 177.77 1pve h ILE 55 N -0.04 1.10 0.00 1.41 2.04 -1.09 0.18 117.51 121.11 1pve h ILE 55 Ca 0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1pve h ILE 55 Cb 0.16 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1pve h ILE 55 CO -0.00 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.36 1pve n GLN 56 N -4.49 0.27 -0.04 2.37 1.13 -0.84 -1.34 117.38 114.45 1pve n GLN 56 Ca 0.15 0.08 -0.06 0.00 -1.94 0.00 0.00 57.00 55.23 1pve n GLN 56 Cb 0.17 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 1pve n GLN 56 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1pve n MET 57 N -1.12 0.17 -0.31 -1.09 2.81 -0.24 -4.66 117.12 112.67 1pve n MET 57 Ca 0.07 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.15 1pve n MET 57 Cb 0.06 -0.97 0.31 0.00 -0.71 0.00 0.00 33.22 31.91 1pve n MET 57 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1pve h LEU 58 N -0.12 0.46 -1.39 4.03 7.12 -0.65 -3.13 115.31 121.64 1pve h LEU 58 Ca -0.17 0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1pve h LEU 58 Cb 1.21 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 1pve h LEU 58 CO -0.07 0.07 -0.01 -3.20 -0.13 0.00 0.00 178.44 175.10 1pve n ASN 59 N -4.97 2.17 -4.77 1.25 5.15 -0.45 -4.80 115.26 108.85 1pve n ASN 59 Ca 0.22 -1.71 -0.34 0.00 -0.60 0.00 0.00 54.58 52.15 1pve n ASN 59 Cb 0.63 0.01 0.03 0.00 -0.53 0.00 0.00 39.78 39.93 1pve n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1pve s GLU 60 N -2.02 2.95 0.20 1.20 0.41 -1.18 -4.99 118.70 115.27 1pve s GLU 60 Ca 0.33 1.52 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 1pve s GLU 60 Cb 0.20 -1.96 -0.09 0.00 -1.78 0.00 0.00 34.13 30.51 1pve s GLU 60 CO 0.33 -1.15 1.29 -1.25 -0.49 0.00 0.00 175.26 173.99 1pve s PRO 61 N -3.75 4.40 0.02 0.39 0.04 -1.26 -4.94 135.00 129.90 1pve s PRO 61 Ca 0.70 2.03 0.28 0.00 0.04 0.00 0.00 61.00 64.05 1pve s PRO 61 Cb -0.23 -3.20 1.07 0.00 0.04 0.00 0.00 34.50 32.18 1pve s PRO 61 CO 0.36 -0.22 1.82 1.33 0.04 0.00 0.00 177.00 180.33 1pve n VAL 62 N 2.57 0.05 -0.43 -0.36 0.24 -1.26 -4.96 118.33 114.18 1pve n VAL 62 Ca 0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1pve n VAL 62 Cb 0.43 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.57 0.00 -1.46 7.34 6.02 -1.26 -5.00 117.38 121.46 1pve n GLN 63 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 1pve n GLN 63 Cb 0.35 -4.01 0.08 0.00 1.02 0.00 0.00 30.24 27.67 1pve n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1pve s GLU 64 N -0.61 2.38 -0.00 -1.09 2.02 -1.26 -5.01 118.70 115.12 1pve s GLU 64 Ca 0.00 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1pve s GLU 64 Cb 0.00 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1pve s GLU 64 CO 0.00 -1.58 0.62 0.00 0.02 0.00 0.00 175.26 174.32 1pve n ALA 65 N -2.98 1.24 0.00 5.21 0.00 -1.26 -5.06 120.51 117.65 1pve n ALA 65 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1pve n ALA 65 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.06 1.05 0.00 0.00 0.00 -1.26 -3.58 105.19 101.34 1pve n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.12 -0.02 0.00 -1.26 -5.17 105.19 101.86 1pve n GLY 67 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1pve n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pve s GLN 68 N 0.00 0.53 0.00 1.61 2.00 -1.23 -5.06 119.66 117.51 1pve s GLN 68 Ca 0.00 -0.49 0.00 0.00 -2.00 0.00 0.00 55.36 52.87 1pve s GLN 68 Cb 0.00 0.22 0.00 0.00 0.80 0.00 0.00 33.01 34.03 1pve s GLN 68 CO 0.00 -0.13 0.05 0.41 -0.50 0.00 0.00 175.29 175.11 1pve n GLY 69 N 1.22 0.42 0.82 2.59 0.00 -1.26 -4.76 105.19 104.22 1pve n GLY 69 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.55 0.00 -0.02 0.00 -1.26 -5.16 105.19 99.30 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 -1.19 0.00 -0.02 0.00 -1.26 -5.35 105.19 97.37 1pve n GLY 71 Ca -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1pve n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93