#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n LEU 2 N 0.00 0.00 0.00 -3.43 7.94 -1.26 -5.11 117.00 115.14 1vs7 n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1vs7 n LEU 2 Cb 0.00 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1vs7 n LEU 2 CO 0.00 -0.01 0.00 -1.54 -1.11 0.00 0.00 177.39 174.73 1vs7 n SER 3 N -1.51 0.00 0.00 1.96 3.41 -1.26 -5.00 113.62 111.22 1vs7 n SER 3 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1vs7 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vs7 n SER 3 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vs7 n THR 4 N 2.42 0.00 0.36 6.66 -2.24 -1.26 -4.55 114.28 115.67 1vs7 n THR 4 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 1vs7 n THR 4 Cb 0.00 -0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 1vs7 n THR 4 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1vs7 h GLU 5 N 0.00 -0.90 0.00 -0.78 4.81 -1.98 0.67 114.58 116.39 1vs7 h GLU 5 Ca 0.00 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1vs7 h GLU 5 Cb 0.28 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1vs7 h GLU 5 CO 0.00 -0.57 -0.24 0.00 -0.73 0.00 0.00 179.01 177.46 1vs7 h ALA 6 N -0.97 1.35 -0.09 2.92 0.00 -1.97 0.39 119.26 120.90 1vs7 h ALA 6 Ca -0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1vs7 h ALA 6 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1vs7 h ALA 6 CO 0.16 0.31 -0.36 1.15 0.00 0.00 0.00 179.25 180.50 1vs7 h THR 7 N 0.00 1.28 0.04 0.00 2.02 -1.74 -2.77 112.91 111.74 1vs7 h THR 7 Ca -0.00 -1.37 -0.36 0.00 0.77 0.00 0.00 66.41 65.46 1vs7 h THR 7 Cb 0.51 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1vs7 h THR 7 CO 0.03 0.40 -2.02 0.00 0.37 0.00 0.00 175.52 174.31 1vs7 n ALA 8 N -2.47 1.04 -0.18 6.16 0.00 0.21 -4.05 120.51 121.21 1vs7 n ALA 8 Ca -0.01 -0.77 0.25 0.00 0.00 0.00 0.00 53.44 52.91 1vs7 n ALA 8 Cb 0.43 -0.38 0.66 0.00 0.00 0.00 0.00 19.45 20.16 1vs7 n ALA 8 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1vs7 h LYS 9 N -0.40 0.11 -0.09 0.00 3.64 -0.30 0.37 116.57 119.91 1vs7 h LYS 9 Ca -0.49 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 58.66 1vs7 h LYS 9 Cb 1.75 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1vs7 h LYS 9 CO -0.12 0.07 -0.85 0.97 -2.27 0.00 0.00 179.45 177.26 1vs7 h ILE 10 N 0.12 1.30 -0.49 2.00 2.10 -1.67 -3.10 117.51 117.77 1vs7 h ILE 10 Ca 0.42 -2.11 -0.02 0.00 1.08 0.00 0.00 64.86 64.24 1vs7 h ILE 10 Cb 1.49 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 39.33 1vs7 h ILE 10 CO -0.06 0.65 0.21 0.58 -1.08 0.00 0.00 178.15 178.46 1vs7 h VAL 11 N 0.44 1.17 0.00 2.19 2.07 -1.08 0.18 116.25 121.22 1vs7 h VAL 11 Ca -0.07 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1vs7 h VAL 11 Cb 1.47 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1vs7 h VAL 11 CO 0.17 0.21 0.00 -1.20 0.02 0.00 0.00 177.57 176.76 1vs7 n SER 12 N -4.37 0.00 0.00 0.57 7.64 -0.86 -2.74 113.62 113.86 1vs7 n SER 12 Ca 0.04 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.11 1vs7 n SER 12 Cb 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1vs7 n SER 12 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vs7 n GLU 13 N -0.51 6.12 -4.31 1.43 -0.58 0.60 -5.07 120.64 118.31 1vs7 n GLU 13 Ca 0.00 -0.01 -0.18 0.00 -0.42 0.00 0.00 57.16 56.55 1vs7 n GLU 13 Cb 0.00 -0.47 -0.09 0.00 -0.57 0.00 0.00 31.44 30.31 1vs7 n GLU 13 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1vs7 s PHE 14 N -0.88 1.59 0.00 -0.32 0.40 -0.94 -5.09 117.98 112.74 1vs7 s PHE 14 Ca 0.00 -1.45 0.00 0.00 -0.60 0.00 0.00 56.93 54.88 1vs7 s PHE 14 Cb 0.00 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1vs7 s PHE 14 CO 0.00 -0.62 0.00 0.41 0.70 0.00 0.00 175.22 175.71 1vs7 n GLY 15 N -0.57 -3.99 0.11 4.36 0.00 -1.26 -4.73 105.19 99.11 1vs7 n GLY 15 Ca 0.02 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 1vs7 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs7 n ARG 16 N -0.19 0.70 -0.92 1.61 1.74 -1.26 -4.99 116.66 113.35 1vs7 n ARG 16 Ca 0.00 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1vs7 n ARG 16 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1vs7 n ARG 16 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1vs7 n ASP 17 N -3.05 0.00 -4.69 0.55 8.00 -1.26 -5.09 116.55 111.01 1vs7 n ASP 17 Ca -0.39 -0.92 -0.37 0.00 0.71 0.00 0.00 54.79 53.83 1vs7 n ASP 17 Cb 0.99 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 42.01 1vs7 n ASP 17 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vs7 s ALA 18 N -2.00 3.60 -0.32 2.24 0.00 -1.26 -4.68 121.76 119.34 1vs7 s ALA 18 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1vs7 s ALA 18 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.74 1vs7 s ALA 18 CO 0.00 -0.12 0.31 -1.71 0.00 0.00 0.00 175.76 174.24 1vs7 n ASN 19 N 4.09 -7.40 -2.97 0.00 5.15 -1.26 -5.02 115.26 107.85 1vs7 n ASN 19 Ca -0.13 0.73 -0.08 0.00 -0.60 0.00 0.00 54.58 54.50 1vs7 n ASN 19 Cb 0.52 -4.21 -0.02 0.00 -0.53 0.00 0.00 39.78 35.55 1vs7 n ASN 19 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1vs7 s ASP 20 N -1.84 -0.84 0.40 1.20 -4.77 -1.26 -5.01 116.67 104.55 1vs7 s ASP 20 Ca 0.14 -1.79 0.07 0.00 -3.30 0.00 0.00 52.55 47.67 1vs7 s ASP 20 Cb -0.03 1.46 0.84 0.00 -1.09 0.00 0.00 42.92 44.10 1vs7 s ASP 20 CO 0.67 -0.10 2.03 0.71 0.70 0.00 0.00 175.17 179.18 1vs7 h THR 21 N 4.94 1.08 0.00 2.11 1.35 -1.95 -0.95 112.91 119.49 1vs7 h THR 21 Ca 0.09 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1vs7 h THR 21 Cb 1.09 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1vs7 h THR 21 CO 0.09 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1vs7 n GLY 22 N -1.47 -0.88 3.64 5.82 0.00 -1.26 -3.97 105.19 107.07 1vs7 n GLY 22 Ca 0.05 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1vs7 n GLY 22 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vs7 n SER 23 N -2.23 1.62 0.43 1.61 2.88 -0.36 -4.82 113.62 112.75 1vs7 n SER 23 Ca -0.01 1.01 -0.19 0.00 -1.33 0.00 0.00 58.87 58.35 1vs7 n SER 23 Cb 0.05 -1.41 -0.10 0.00 -0.75 0.00 0.00 64.21 62.00 1vs7 n SER 23 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1vs7 h THR 24 N 1.50 0.08 -0.70 2.46 2.02 -1.89 -0.92 112.91 115.46 1vs7 h THR 24 Ca -0.46 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.87 1vs7 h THR 24 Cb 1.33 0.08 -0.11 0.00 -1.74 0.00 0.00 68.15 67.71 1vs7 h THR 24 CO 0.57 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 176.23 1vs7 h GLU 25 N -1.16 0.19 -0.08 6.66 3.07 -1.94 -1.07 114.58 120.25 1vs7 h GLU 25 Ca -0.10 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1vs7 h GLU 25 Cb 0.92 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 1vs7 h GLU 25 CO 0.12 0.13 -0.08 0.28 -1.40 0.00 0.00 179.01 178.06 1vs7 h VAL 26 N 0.20 0.77 -0.68 3.13 2.07 -1.78 -1.54 116.25 118.42 1vs7 h VAL 26 Ca 0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.96 1vs7 h VAL 26 Cb 0.65 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1vs7 h VAL 26 CO -0.53 0.00 0.39 1.56 0.02 0.00 0.00 177.57 179.00 1vs7 h GLN 27 N -0.10 0.69 0.86 1.57 4.20 0.06 -1.20 115.11 121.20 1vs7 h GLN 27 Ca 0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1vs7 h GLN 27 Cb 0.19 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.82 1vs7 h GLN 27 CO -0.15 0.46 -0.41 0.28 -0.67 0.00 0.00 178.83 178.34 1vs7 h VAL 28 N 0.72 0.00 -0.75 -0.54 2.07 -1.01 0.24 116.25 116.98 1vs7 h VAL 28 Ca 0.30 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.93 1vs7 h VAL 28 Cb 0.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.81 1vs7 h VAL 28 CO -0.18 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.40 1vs7 h ALA 29 N -1.41 0.74 -0.57 1.67 0.00 -1.18 0.92 119.26 119.44 1vs7 h ALA 29 Ca -0.12 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1vs7 h ALA 29 Cb 0.89 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1vs7 h ALA 29 CO 0.19 -0.42 0.18 -0.07 0.00 0.00 0.00 179.25 179.14 1vs7 h LEU 30 N 0.09 0.82 0.00 0.00 3.38 -1.12 0.29 115.31 118.77 1vs7 h LEU 30 Ca 0.40 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vs7 h LEU 30 Cb 0.70 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vs7 h LEU 30 CO -0.67 0.80 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1vs7 n LEU 31 N -4.44 0.00 -0.07 1.67 4.77 0.84 -2.86 117.00 116.90 1vs7 n LEU 31 Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1vs7 n LEU 31 Cb 0.20 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1vs7 n LEU 31 CO 0.40 0.00 -0.97 0.41 -1.33 0.00 0.00 177.39 175.89 1vs7 n THR 32 N -0.99 0.95 -0.10 -5.08 -1.04 0.28 -4.07 114.28 104.23 1vs7 n THR 32 Ca 0.21 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 1vs7 n THR 32 Cb 0.10 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 1vs7 n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vs7 h ALA 33 N 0.52 0.54 0.02 2.41 0.00 -0.39 -3.15 119.26 119.21 1vs7 h ALA 33 Ca -0.37 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1vs7 h ALA 33 Cb 1.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1vs7 h ALA 33 CO 0.00 0.68 -0.01 1.96 0.00 0.00 0.00 179.25 181.88 1vs7 h GLN 34 N 0.72 -0.03 -0.97 0.00 4.20 -1.76 -0.78 115.11 116.50 1vs7 h GLN 34 Ca 0.04 0.00 0.25 0.00 0.06 0.00 0.00 58.65 59.01 1vs7 h GLN 34 Cb 1.05 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.71 1vs7 h GLN 34 CO 0.11 0.23 0.52 0.82 -0.67 0.00 0.00 178.83 179.84 1vs7 h ILE 35 N -0.29 0.46 0.22 2.54 1.08 -1.70 0.42 117.51 120.24 1vs7 h ILE 35 Ca -0.00 -0.16 -0.29 0.00 -0.39 0.00 0.00 64.86 64.02 1vs7 h ILE 35 Cb 0.27 -0.04 0.03 0.00 -3.07 0.00 0.00 36.82 34.01 1vs7 h ILE 35 CO 0.00 0.09 -1.28 0.78 -0.69 0.00 0.00 178.15 177.05 1vs7 h ASN 36 N 0.47 0.72 0.00 1.72 -0.26 -1.49 -2.51 115.58 114.22 1vs7 h ASN 36 Ca 0.64 -0.93 0.00 0.00 -0.56 0.00 0.00 56.30 55.44 1vs7 h ASN 36 Cb 1.26 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1vs7 h ASN 36 CO -0.52 1.62 0.00 1.41 -1.06 0.00 0.00 177.43 178.87 1vs7 n HIS 37 N -3.85 0.00 0.06 1.19 8.25 -0.31 -2.05 115.22 118.52 1vs7 n HIS 37 Ca -0.16 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.33 1vs7 n HIS 37 Cb 1.02 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.08 1vs7 n HIS 37 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1vs7 n LEU 38 N -0.90 0.07 -0.12 2.41 7.94 0.13 -4.61 117.00 121.92 1vs7 n LEU 38 Ca 0.14 -0.11 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 1vs7 n LEU 38 Cb 0.06 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.05 1vs7 n LEU 38 CO 0.11 0.02 0.92 1.56 -1.11 0.00 0.00 177.39 178.88 1vs7 h GLN 39 N 0.00 0.24 -0.61 1.96 1.08 -0.95 -1.98 115.11 114.85 1vs7 h GLN 39 Ca 0.00 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.27 1vs7 h GLN 39 Cb 0.25 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.56 1vs7 h GLN 39 CO 0.00 0.16 0.26 0.78 -0.95 0.00 0.00 178.83 179.08 1vs7 h GLY 40 N 0.24 0.87 0.53 3.46 0.00 -1.82 0.43 103.07 106.79 1vs7 h GLY 40 Ca 0.19 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.46 1vs7 h GLY 40 CO -0.23 0.03 0.46 0.84 0.00 0.00 0.00 176.54 177.64 1vs7 h HIS 41 N 0.47 0.84 0.00 5.60 -0.00 -1.64 -1.34 115.15 119.09 1vs7 h HIS 41 Ca 0.30 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1vs7 h HIS 41 Cb 0.32 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1vs7 h HIS 41 CO -0.14 0.35 -0.27 0.74 -0.00 0.00 0.00 177.93 178.61 1vs7 h PHE 42 N 0.78 0.00 -0.40 5.26 -1.00 -0.85 -3.03 116.94 117.69 1vs7 h PHE 42 Ca 0.39 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.27 1vs7 h PHE 42 Cb 0.35 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1vs7 h PHE 42 CO -0.06 0.00 0.28 0.00 -1.61 0.00 0.00 178.31 176.92 1vs7 h ALA 43 N 2.06 2.22 -4.84 2.45 0.00 0.10 -3.35 119.26 117.91 1vs7 h ALA 43 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 1vs7 h ALA 43 Cb 0.97 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1vs7 h ALA 43 CO 0.00 -0.33 -0.21 -1.91 0.00 0.00 0.00 179.25 176.80 1vs7 n GLU 44 N -4.45 1.16 -2.82 0.00 0.00 -1.13 -4.63 120.64 108.78 1vs7 n GLU 44 Ca 0.06 -2.04 -0.11 0.00 0.00 0.00 0.00 57.16 55.07 1vs7 n GLU 44 Cb 0.39 0.39 -0.01 0.00 0.00 0.00 0.00 31.44 32.21 1vs7 n GLU 44 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1vs7 n HIS 45 N -0.98 -1.72 -0.45 4.31 8.25 -1.26 -4.72 115.22 118.66 1vs7 n HIS 45 Ca -0.07 0.14 0.37 0.00 -0.26 0.00 0.00 57.72 57.91 1vs7 n HIS 45 Cb 0.36 -1.92 0.62 0.00 1.12 0.00 0.00 29.99 30.18 1vs7 n HIS 45 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vs7 n LYS 46 N -2.94 -0.03 -0.38 -0.41 5.02 -1.26 0.64 118.16 118.81 1vs7 n LYS 46 Ca -0.03 1.12 -0.03 0.00 -2.02 0.00 0.00 58.31 57.35 1vs7 n LYS 46 Cb 0.53 -2.24 0.11 0.00 -0.02 0.00 0.00 35.03 33.41 1vs7 n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vs7 n LYS 47 N -4.45 1.95 -2.04 1.97 5.02 -1.26 -4.58 118.16 114.76 1vs7 n LYS 47 Ca 0.37 -1.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.15 1vs7 n LYS 47 Cb 1.45 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1vs7 n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vs7 n ASP 48 N 0.08 7.04 0.21 4.39 4.64 0.21 -4.79 116.55 128.32 1vs7 n ASP 48 Ca 0.15 -3.08 -0.15 0.00 -1.38 0.00 0.00 54.79 50.34 1vs7 n ASP 48 Cb 0.75 -1.42 -0.08 0.00 -1.04 0.00 0.00 41.12 39.33 1vs7 n ASP 48 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 1vs7 h HIS 49 N 5.04 -1.17 -0.90 -0.67 3.86 -1.86 -1.46 115.15 117.98 1vs7 h HIS 49 Ca 0.61 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 60.01 1vs7 h HIS 49 Cb 0.41 0.47 -0.17 0.00 1.06 0.00 0.00 27.41 29.18 1vs7 h HIS 49 CO 1.51 -0.54 -0.25 0.45 0.86 0.00 0.00 177.93 179.96 1vs7 h HIS 50 N -0.78 -0.58 -0.38 2.45 3.86 -2.00 0.64 115.15 118.36 1vs7 h HIS 50 Ca -0.04 0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1vs7 h HIS 50 Cb 0.70 0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 1vs7 h HIS 50 CO -0.27 -0.39 -0.15 0.77 0.86 0.00 0.00 177.93 178.75 1vs7 h SER 51 N -0.01 0.69 -0.58 2.45 0.02 -1.95 -2.61 113.55 111.56 1vs7 h SER 51 Ca 0.41 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1vs7 h SER 51 Cb 0.65 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1vs7 h SER 51 CO -0.93 0.85 0.28 -0.09 -1.14 0.00 0.00 176.83 175.81 1vs7 h ARG 52 N 0.62 0.51 -1.06 3.45 9.65 0.13 0.34 114.38 128.02 1vs7 h ARG 52 Ca 0.10 -0.03 0.30 0.00 -1.10 0.00 0.00 59.98 59.25 1vs7 h ARG 52 Cb 0.61 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.02 1vs7 h ARG 52 CO 0.04 0.34 0.74 -0.09 2.80 0.00 0.00 179.97 183.81 1vs7 h ARG 53 N 0.53 0.09 0.09 0.20 2.43 -0.44 0.22 114.38 117.50 1vs7 h ARG 53 Ca 0.27 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1vs7 h ARG 53 Cb 0.22 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1vs7 h ARG 53 CO -0.21 0.06 -0.63 0.78 -1.51 0.00 0.00 179.97 178.46 1vs7 h GLY 54 N 0.10 0.30 0.48 2.80 0.00 -0.37 -3.16 103.07 103.23 1vs7 h GLY 54 Ca 0.53 -0.71 0.19 0.00 0.00 0.00 0.00 47.33 47.34 1vs7 h GLY 54 CO -0.07 0.62 0.55 -2.00 0.00 0.00 0.00 176.54 175.64 1vs7 h LEU 55 N -0.43 0.27 -0.16 3.11 5.85 0.66 -1.23 115.31 123.37 1vs7 h LEU 55 Ca -0.11 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1vs7 h LEU 55 Cb 1.46 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1vs7 h LEU 55 CO 0.12 0.12 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.06 1vs7 h LEU 56 N 0.28 0.47 -1.93 2.25 4.07 -1.24 -3.10 115.31 116.10 1vs7 h LEU 56 Ca 0.40 -0.51 0.26 0.00 0.08 0.00 0.00 57.88 58.11 1vs7 h LEU 56 Cb 1.16 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.72 1vs7 h LEU 56 CO -0.10 0.88 0.65 -0.09 -1.08 0.00 0.00 178.44 178.70 1vs7 h ARG 57 N 0.07 0.05 0.02 1.13 2.43 -1.18 0.23 114.38 117.12 1vs7 h ARG 57 Ca 0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1vs7 h ARG 57 Cb 0.77 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1vs7 h ARG 57 CO 0.05 0.03 -0.01 0.52 -1.51 0.00 0.00 179.97 179.05 1vs7 h MET 58 N 0.05 -0.03 -0.80 0.20 2.86 -1.47 -2.42 114.93 113.33 1vs7 h MET 58 Ca 0.44 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1vs7 h MET 58 Cb 1.67 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.30 1vs7 h MET 58 CO -0.03 0.51 0.48 0.28 1.06 0.00 0.00 176.91 179.21 1vs7 h VAL 59 N -0.59 1.22 0.31 -2.22 2.07 -1.03 0.21 116.25 116.23 1vs7 h VAL 59 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1vs7 h VAL 59 Cb 0.55 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1vs7 h VAL 59 CO 0.01 0.23 -0.37 0.28 0.02 0.00 0.00 177.57 177.74 1vs7 h SER 60 N 1.09 -1.03 -0.35 0.57 0.02 -0.66 -1.84 113.55 111.35 1vs7 h SER 60 Ca 0.29 0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 61.19 1vs7 h SER 60 Cb -0.04 0.36 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1vs7 h SER 60 CO -0.05 -0.50 -0.33 0.06 -1.14 0.00 0.00 176.83 174.87 1vs7 h GLN 61 N -0.73 0.88 -0.41 3.45 3.07 -1.28 -3.00 115.11 117.09 1vs7 h GLN 61 Ca -0.01 -0.43 0.09 0.00 0.09 0.00 0.00 58.65 58.38 1vs7 h GLN 61 Cb 0.68 -0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.15 1vs7 h GLN 61 CO -0.11 1.08 -0.17 -0.09 0.09 0.00 0.00 178.83 179.63 1vs7 h ARG 62 N 0.74 -0.08 -0.71 0.06 2.43 -0.39 0.21 114.38 116.63 1vs7 h ARG 62 Ca 0.07 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1vs7 h ARG 62 Cb 0.90 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 1vs7 h ARG 62 CO 0.08 -0.06 0.43 -0.09 -1.51 0.00 0.00 179.97 178.83 1vs7 h ARG 63 N -0.09 0.81 -0.00 0.20 1.12 -1.31 0.11 114.38 115.23 1vs7 h ARG 63 Ca 0.20 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.97 1vs7 h ARG 63 Cb 0.40 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1vs7 h ARG 63 CO -0.47 0.54 -0.23 0.87 -3.11 0.00 0.00 179.97 177.57 1vs7 h LYS 64 N 0.83 0.00 -0.01 0.20 1.57 -0.97 0.15 116.57 118.35 1vs7 h LYS 64 Ca 0.29 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1vs7 h LYS 64 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1vs7 h LYS 64 CO -0.13 0.23 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.86 1vs7 h LEU 65 N 0.00 0.06 -0.49 2.94 3.38 0.72 -2.79 115.31 119.14 1vs7 h LEU 65 Ca -0.00 -0.67 0.03 0.00 0.09 0.00 0.00 57.88 57.33 1vs7 h LEU 65 Cb 0.40 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1vs7 h LEU 65 CO 0.03 0.72 0.28 -0.07 0.09 0.00 0.00 178.44 179.49 1vs7 h LEU 66 N -0.59 0.44 -1.39 1.67 3.38 -0.50 -1.95 115.31 116.38 1vs7 h LEU 66 Ca -0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1vs7 h LEU 66 Cb 0.72 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1vs7 h LEU 66 CO 0.01 0.31 0.44 0.44 0.09 0.00 0.00 178.44 179.74 1vs7 h ASP 67 N 0.55 0.68 0.61 -0.43 3.32 -0.77 -2.29 116.42 118.09 1vs7 h ASP 67 Ca 0.20 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1vs7 h ASP 67 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1vs7 h ASP 67 CO -0.10 0.47 -0.33 0.22 -1.72 0.00 0.00 179.24 177.78 1vs7 h TYR 68 N 0.79 -0.86 -0.55 4.55 3.20 -1.07 -0.91 116.97 122.11 1vs7 h TYR 68 Ca 0.27 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1vs7 h TYR 68 Cb 0.10 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1vs7 h TYR 68 CO -0.00 -0.52 0.27 1.25 -1.64 0.00 0.00 178.16 177.52 1vs7 h LEU 69 N -0.87 0.37 -1.31 2.82 7.12 -1.26 0.16 115.31 122.34 1vs7 h LEU 69 Ca -0.08 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1vs7 h LEU 69 Cb 0.69 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1vs7 h LEU 69 CO 0.11 0.25 0.00 0.50 -0.13 0.00 0.00 178.44 179.16 1vs7 h LYS 70 N 0.51 0.00 -0.28 1.25 3.64 -1.31 0.37 116.57 120.76 1vs7 h LYS 70 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1vs7 h LYS 70 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1vs7 h LYS 70 CO -0.19 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 174.86 1vs7 n ARG 71 N -2.51 2.24 0.00 1.90 0.63 0.42 -4.08 116.66 115.26 1vs7 n ARG 71 Ca 0.00 -2.06 0.00 0.00 -0.92 0.00 0.00 57.85 54.87 1vs7 n ARG 71 Cb 0.18 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1vs7 n ARG 71 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vs7 n LYS 72 N 1.26 0.00 0.00 -0.14 4.76 -0.43 -4.98 118.16 118.63 1vs7 n LYS 72 Ca 0.16 -0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1vs7 n LYS 72 Cb 0.54 -0.42 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1vs7 n LYS 72 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1vs7 n ASP 73 N 0.00 0.00 0.25 4.39 -0.08 0.12 -5.01 116.55 116.22 1vs7 n ASP 73 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 1vs7 n ASP 73 Cb 0.46 0.00 0.74 0.00 2.34 0.00 0.00 41.12 44.66 1vs7 n ASP 73 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1vs7 h VAL 74 N 0.00 0.00 0.45 5.18 2.07 -1.71 -2.69 116.25 119.55 1vs7 h VAL 74 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1vs7 h VAL 74 Cb 0.00 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1vs7 h VAL 74 CO 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.37 1vs7 h ALA 75 N 1.64 -0.63 -0.86 1.67 0.00 -1.93 -3.10 119.26 116.05 1vs7 h ALA 75 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1vs7 h ALA 75 Cb 0.32 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1vs7 h ALA 75 CO 0.00 -0.58 0.56 -0.09 0.00 0.00 0.00 179.25 179.14 1vs7 h ARG 76 N -1.11 1.10 0.01 0.00 2.43 -1.84 -3.04 114.38 111.93 1vs7 h ARG 76 Ca -0.06 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1vs7 h ARG 76 Cb 0.46 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1vs7 h ARG 76 CO 0.10 0.73 -0.20 -0.92 -1.51 0.00 0.00 179.97 178.17 1vs7 h TYR 77 N 1.13 -0.59 -1.11 2.20 3.20 -1.60 -1.23 116.97 118.96 1vs7 h TYR 77 Ca 0.32 0.02 0.34 0.00 3.14 0.00 0.00 58.73 62.56 1vs7 h TYR 77 Cb -0.08 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 38.31 1vs7 h TYR 77 CO -0.02 -0.22 0.68 1.79 -1.64 0.00 0.00 178.16 178.76 1vs7 h THR 78 N -0.26 0.30 0.01 1.81 1.35 -1.52 0.23 112.91 114.83 1vs7 h THR 78 Ca 0.00 -0.09 0.01 0.00 -0.55 0.00 0.00 66.41 65.78 1vs7 h THR 78 Cb 0.27 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 1vs7 h THR 78 CO -0.13 0.05 -0.04 0.03 -0.25 0.00 0.00 175.52 175.18 1vs7 h ARG 79 N 0.27 -0.07 -0.83 4.72 2.47 -1.14 -2.87 114.38 116.92 1vs7 h ARG 79 Ca 0.73 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 59.50 1vs7 h ARG 79 Cb 1.92 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 30.20 1vs7 h ARG 79 CO -0.47 -0.05 0.52 1.25 0.56 0.00 0.00 179.97 181.78 1vs7 h LEU 80 N -0.08 0.84 -0.48 3.04 6.46 0.33 -2.72 115.31 122.70 1vs7 h LEU 80 Ca 0.01 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.86 1vs7 h LEU 80 Cb 0.09 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 39.78 1vs7 h LEU 80 CO -0.03 0.56 0.07 0.40 -0.62 0.00 0.00 178.44 178.82 1vs7 h ILE 81 N 0.98 0.71 0.15 4.05 1.08 -1.22 -2.74 117.51 120.53 1vs7 h ILE 81 Ca 0.35 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.75 1vs7 h ILE 81 Cb 0.10 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1vs7 h ILE 81 CO -0.15 0.04 -0.28 -0.08 -0.69 0.00 0.00 178.15 176.99 1vs7 h GLU 82 N 0.20 -0.45 0.00 2.37 4.81 -1.37 1.60 114.58 121.75 1vs7 h GLU 82 Ca 0.24 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1vs7 h GLU 82 Cb 0.33 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1vs7 h GLU 82 CO -0.33 -0.30 0.03 0.54 -0.73 0.00 0.00 179.01 178.22 1vs7 n ARG 83 N -4.04 0.00 0.00 1.92 5.12 -1.17 -0.79 116.66 117.70 1vs7 n ARG 83 Ca -0.05 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 1vs7 n ARG 83 Cb 0.23 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1vs7 n ARG 83 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1vs7 n LEU 84 N -1.31 0.49 -2.72 0.55 4.32 -0.62 -5.01 117.00 112.71 1vs7 n LEU 84 Ca 0.00 -0.67 -0.12 0.00 -0.02 0.00 0.00 56.01 55.20 1vs7 n LEU 84 Cb 0.03 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.82 1vs7 n LEU 84 CO 0.00 0.12 -0.09 0.61 -1.22 0.00 0.00 177.39 176.81 1vs7 n GLY 85 N 0.36 -0.49 0.00 -0.72 0.00 0.54 -4.93 105.19 99.95 1vs7 n GLY 85 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1vs7 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vs7 n LEU 86 N -2.96 0.00 -2.10 0.99 4.32 -1.04 -4.56 117.00 111.65 1vs7 n LEU 86 Ca -0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.78 1vs7 n LEU 86 Cb 0.56 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 1vs7 n LEU 86 CO 0.22 -0.00 -0.17 -1.14 -1.22 0.00 0.00 177.39 175.08 1vs7 n ARG 87 N -0.00 -1.86 -0.27 3.23 3.00 -1.26 -4.93 116.66 114.57 1vs7 n ARG 87 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 1vs7 n ARG 87 Cb 0.00 -5.23 0.00 0.00 0.00 0.00 0.00 32.46 27.23 1vs7 n ARG 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17