#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 n ILE 3 N 0.00 0.00 0.00 1.53 5.41 -1.26 -4.52 119.36 120.52 1vs7 n ILE 3 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1vs7 n ILE 3 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1vs7 n ILE 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1vs7 n LYS 4 N 0.00 0.00 -0.35 0.38 4.81 -1.26 -5.04 118.16 116.70 1vs7 n LYS 4 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.73 1vs7 n LYS 4 Cb 0.00 0.00 0.59 0.00 0.02 0.00 0.00 35.03 35.64 1vs7 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1vs7 h SER 5 N 0.00 0.30 0.00 3.14 0.87 -2.07 -0.39 113.55 115.40 1vs7 h SER 5 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1vs7 h SER 5 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1vs7 h SER 5 CO 0.00 0.02 0.27 0.00 -0.53 0.00 0.00 176.83 176.59 1vs7 n ALA 6 N -2.56 0.58 0.00 6.23 0.00 -1.26 -1.63 120.51 121.87 1vs7 n ALA 6 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1vs7 n ALA 6 Cb 1.08 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1vs7 n ALA 6 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vs7 n LYS 7 N -1.63 0.00 -0.41 0.00 2.85 -0.16 -2.71 118.16 116.10 1vs7 n LYS 7 Ca -0.00 0.45 0.38 0.00 -1.05 0.00 0.00 58.31 58.08 1vs7 n LYS 7 Cb 0.28 -1.53 0.75 0.00 -0.65 0.00 0.00 35.03 33.88 1vs7 n LYS 7 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1vs7 h LYS 8 N 0.00 0.03 -1.21 -1.58 3.64 -1.58 0.16 116.57 116.04 1vs7 h LYS 8 Ca 0.00 -0.00 0.37 0.00 -1.27 0.00 0.00 60.65 59.75 1vs7 h LYS 8 Cb 0.05 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.75 1vs7 h LYS 8 CO 0.00 0.02 0.77 -0.09 -2.27 0.00 0.00 179.45 177.88 1vs7 h ARG 9 N 0.03 0.19 -0.44 1.90 9.65 -1.82 -1.02 114.38 122.87 1vs7 h ARG 9 Ca 0.65 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.60 1vs7 h ARG 9 Cb 2.54 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 30.98 1vs7 h ARG 9 CO -0.04 0.13 -0.35 0.00 2.80 0.00 0.00 179.97 182.51 1vs7 h ALA 10 N 1.62 -0.20 0.04 2.80 0.00 -0.97 0.45 119.26 123.00 1vs7 h ALA 10 Ca 0.73 0.11 -0.23 0.00 0.00 0.00 0.00 54.91 55.52 1vs7 h ALA 10 Cb 2.16 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 20.69 1vs7 h ALA 10 CO -0.38 -0.74 -1.10 -0.84 0.00 0.00 0.00 179.25 176.20 1vs7 h ILE 11 N -0.25 1.63 -0.20 0.00 -0.00 -1.43 -2.99 117.51 114.27 1vs7 h ILE 11 Ca 0.18 -3.29 -0.01 0.00 -0.00 0.00 0.00 64.86 61.74 1vs7 h ILE 11 Cb 0.55 2.87 -0.01 0.00 -0.00 0.00 0.00 36.82 40.23 1vs7 h ILE 11 CO -0.57 0.94 0.10 -0.61 -0.00 0.00 0.00 178.15 178.01 1vs7 h GLN 12 N 0.02 0.29 -0.66 0.16 4.15 -0.77 -2.69 115.11 115.61 1vs7 h GLN 12 Ca -0.06 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1vs7 h GLN 12 Cb 1.84 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.45 1vs7 h GLN 12 CO 0.15 0.29 0.25 1.03 -1.93 0.00 0.00 178.83 178.63 1vs7 h SER 13 N 0.21 0.92 -0.16 -0.69 0.87 -0.21 -3.16 113.55 111.32 1vs7 h SER 13 Ca 0.07 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1vs7 h SER 13 Cb 0.09 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.75 1vs7 h SER 13 CO -0.01 0.85 -0.24 -0.33 -0.53 0.00 0.00 176.83 176.57 1vs7 h GLU 14 N 0.94 -0.28 -0.96 2.24 4.39 -1.34 0.19 114.58 119.76 1vs7 h GLU 14 Ca 0.22 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.18 1vs7 h GLU 14 Cb 0.22 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 1vs7 h GLU 14 CO -0.02 -0.18 0.64 0.87 -1.16 0.00 0.00 179.01 179.16 1vs7 h LYS 15 N -0.29 0.32 0.02 2.33 1.79 -1.45 0.10 116.57 119.39 1vs7 h LYS 15 Ca 0.11 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 1vs7 h LYS 15 Cb 0.45 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1vs7 h LYS 15 CO -0.33 0.21 -0.47 0.00 -1.08 0.00 0.00 179.45 177.78 1vs7 h ALA 16 N 1.59 0.04 -0.69 3.86 0.00 -1.21 -2.30 119.26 120.54 1vs7 h ALA 16 Ca 0.51 -0.54 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1vs7 h ALA 16 Cb 1.41 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 1vs7 h ALA 16 CO -0.18 0.24 0.09 -0.09 0.00 0.00 0.00 179.25 179.31 1vs7 h ARG 17 N -0.33 0.18 -0.30 0.00 1.12 0.18 1.50 114.38 116.73 1vs7 h ARG 17 Ca -0.06 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.66 1vs7 h ARG 17 Cb 1.22 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 31.14 1vs7 h ARG 17 CO 0.09 0.12 -0.33 0.87 -3.11 0.00 0.00 179.97 177.61 1vs7 h LYS 18 N 0.19 0.75 0.74 0.20 1.57 -1.27 -1.10 116.57 117.66 1vs7 h LYS 18 Ca 0.38 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1vs7 h LYS 18 Cb 0.64 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.97 1vs7 h LYS 18 CO -0.53 1.03 -0.36 1.25 -0.57 0.00 0.00 179.45 180.27 1vs7 h HIS 19 N 0.51 -0.92 -0.78 -1.35 2.76 -0.34 -1.76 115.15 113.27 1vs7 h HIS 19 Ca 0.04 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.35 1vs7 h HIS 19 Cb 0.91 0.31 -0.11 0.00 1.55 0.00 0.00 27.41 30.07 1vs7 h HIS 19 CO 0.07 -0.57 0.27 -0.91 -1.30 0.00 0.00 177.93 175.49 1vs7 h ASN 20 N -1.03 0.19 -0.33 3.26 4.21 0.19 -0.40 115.58 121.68 1vs7 h ASN 20 Ca -0.10 0.13 0.04 0.00 1.21 0.00 0.00 56.30 57.58 1vs7 h ASN 20 Cb 0.76 0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 38.06 1vs7 h ASN 20 CO 0.17 0.03 0.10 0.00 -1.29 0.00 0.00 177.43 176.44 1vs7 h ALA 21 N 1.60 0.37 -0.55 -0.83 0.00 -1.09 0.71 119.26 119.46 1vs7 h ALA 21 Ca 0.44 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 1vs7 h ALA 21 Cb 0.74 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1vs7 h ALA 21 CO -0.47 -0.30 0.14 0.66 0.00 0.00 0.00 179.25 179.28 1vs7 h SER 22 N 0.23 0.83 -0.17 0.00 4.64 -0.31 0.21 113.55 118.98 1vs7 h SER 22 Ca 0.15 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1vs7 h SER 22 Cb 0.14 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1vs7 h SER 22 CO -0.17 0.85 -0.01 0.03 -0.87 0.00 0.00 176.83 176.65 1vs7 h ARG 23 N 0.78 0.31 -0.65 4.77 2.47 -0.65 -2.60 114.38 118.81 1vs7 h ARG 23 Ca 0.17 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 1vs7 h ARG 23 Cb 0.34 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1vs7 h ARG 23 CO 0.00 0.54 0.18 -0.09 0.56 0.00 0.00 179.97 181.16 1vs7 h ARG 24 N 0.04 1.03 -0.80 0.04 2.43 0.50 -2.67 114.38 114.94 1vs7 h ARG 24 Ca 0.05 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1vs7 h ARG 24 Cb 0.42 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1vs7 h ARG 24 CO 0.01 0.91 0.52 1.03 -1.51 0.00 0.00 179.97 180.94 1vs7 h SER 25 N 0.95 0.76 0.03 -3.80 0.87 -0.50 -2.60 113.55 109.26 1vs7 h SER 25 Ca 0.21 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1vs7 h SER 25 Cb 0.33 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1vs7 h SER 25 CO -0.00 0.48 -0.01 -0.03 -0.53 0.00 0.00 176.83 176.74 1vs7 h MET 26 N 0.86 -0.04 -0.33 2.24 1.85 -1.13 -3.15 114.93 115.23 1vs7 h MET 26 Ca 0.35 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.51 1vs7 h MET 26 Cb 0.26 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.23 1vs7 h MET 26 CO -0.12 0.26 -0.12 1.98 -0.40 0.00 0.00 176.91 178.50 1vs7 h MET 27 N -0.34 -0.05 -0.40 0.39 -1.53 -1.27 -2.01 114.93 109.72 1vs7 h MET 27 Ca -0.00 0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 1vs7 h MET 27 Cb 0.32 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.36 1vs7 h MET 27 CO 0.01 -0.04 0.26 0.00 0.14 0.00 0.00 176.91 177.28 1vs7 h ARG 28 N -0.06 0.40 -0.46 0.39 3.08 -1.57 -1.85 114.38 114.31 1vs7 h ARG 28 Ca 0.16 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1vs7 h ARG 28 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1vs7 h ARG 28 CO -0.37 0.26 -0.06 1.79 -1.07 0.00 0.00 179.97 180.52 1vs7 h THR 29 N 0.41 1.27 -0.09 2.04 1.35 -1.33 -2.84 112.91 113.72 1vs7 h THR 29 Ca 0.16 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 1vs7 h THR 29 Cb 0.14 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1vs7 h THR 29 CO -0.04 0.40 0.03 -0.26 -0.25 0.00 0.00 175.52 175.40 1vs7 h PHE 30 N 0.69 0.15 0.00 4.73 0.05 -1.11 -2.60 116.94 118.85 1vs7 h PHE 30 Ca 0.12 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.90 1vs7 h PHE 30 Cb 0.59 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.50 1vs7 h PHE 30 CO 0.05 0.28 0.04 -0.89 -0.18 0.00 0.00 178.31 177.61 1vs7 n ILE 31 N -4.91 1.02 -0.08 -0.55 5.41 -0.76 -2.90 119.36 116.60 1vs7 n ILE 31 Ca -0.06 0.73 -0.16 0.00 1.00 0.00 0.00 62.75 64.26 1vs7 n ILE 31 Cb 0.13 -1.73 -0.12 0.00 -0.71 0.00 0.00 39.64 37.21 1vs7 n ILE 31 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1vs7 h LYS 32 N 0.00 0.00 -0.60 0.38 1.57 -1.21 -3.24 116.57 113.47 1vs7 h LYS 32 Ca 0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1vs7 h LYS 32 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1vs7 h LYS 32 CO 0.00 0.99 0.50 0.87 -0.57 0.00 0.00 179.45 181.24 1vs7 h LYS 33 N -1.00 0.00 -0.67 3.15 1.57 -1.57 1.17 116.57 119.21 1vs7 h LYS 33 Ca -0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1vs7 h LYS 33 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1vs7 h LYS 33 CO -0.06 0.00 0.13 0.28 -0.57 0.00 0.00 179.45 179.23 1vs7 h VAL 34 N 0.00 1.26 -0.06 0.50 2.07 -1.64 -0.41 116.25 117.97 1vs7 h VAL 34 Ca 0.29 -1.00 -0.25 0.00 0.82 0.00 0.00 66.70 66.56 1vs7 h VAL 34 Cb 1.28 0.60 0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1vs7 h VAL 34 CO -0.00 0.38 -0.94 0.10 0.02 0.00 0.00 177.57 177.12 1vs7 h TYR 35 N 1.03 1.06 0.33 1.57 -0.00 0.11 -3.04 116.97 118.04 1vs7 h TYR 35 Ca 0.21 -0.54 -0.01 0.00 0.00 0.00 0.00 58.73 58.39 1vs7 h TYR 35 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 36.98 1vs7 h TYR 35 CO 0.03 1.37 -0.35 0.00 -0.00 0.00 0.00 178.16 179.21 1vs7 h ALA 36 N 0.46 -1.02 -0.73 0.10 0.00 0.28 0.23 119.26 118.58 1vs7 h ALA 36 Ca -0.10 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.84 1vs7 h ALA 36 Cb 1.59 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 1vs7 h ALA 36 CO 0.19 -1.05 0.15 0.00 0.00 0.00 0.00 179.25 178.54 1vs7 h ALA 37 N -1.15 0.92 -0.91 0.00 0.00 -1.20 1.12 119.26 118.03 1vs7 h ALA 37 Ca -0.04 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1vs7 h ALA 37 Cb 0.60 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1vs7 h ALA 37 CO -0.05 -0.36 0.60 0.82 0.00 0.00 0.00 179.25 180.26 1vs7 h ILE 38 N 0.24 1.23 -0.00 0.00 1.08 -1.34 0.16 117.51 118.87 1vs7 h ILE 38 Ca 0.41 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1vs7 h ILE 38 Cb 0.71 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1vs7 h ILE 38 CO -0.53 0.23 -0.22 1.21 -0.69 0.00 0.00 178.15 178.14 1vs7 n GLU 39 N -4.45 0.06 -0.15 2.37 0.00 0.78 -3.29 120.64 115.96 1vs7 n GLU 39 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 57.16 57.31 1vs7 n GLU 39 Cb 0.01 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.10 1vs7 n GLU 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1vs7 n ALA 40 N -1.46 2.31 -3.53 4.31 0.00 0.36 -5.02 120.51 117.48 1vs7 n ALA 40 Ca 0.07 -0.99 -0.20 0.00 0.00 0.00 0.00 53.44 52.32 1vs7 n ALA 40 Cb 0.33 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 19.27 1vs7 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs7 n GLY 41 N 0.79 -1.18 2.57 0.00 0.00 0.45 -4.98 105.19 102.84 1vs7 n GLY 41 Ca 0.12 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.37 1vs7 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vs7 s ASP 42 N -3.16 2.90 0.58 1.61 2.15 -0.77 -4.98 116.67 115.00 1vs7 s ASP 42 Ca 0.17 -2.81 0.31 0.00 0.43 0.00 0.00 52.55 50.65 1vs7 s ASP 42 Cb -0.06 -0.75 1.40 0.00 -0.30 0.00 0.00 42.92 43.21 1vs7 s ASP 42 CO 0.84 -0.22 1.75 0.07 -0.17 0.00 0.00 175.17 177.44 1vs7 h LYS 43 N 6.29 0.00 0.00 4.34 2.10 -1.93 0.11 116.57 127.48 1vs7 h LYS 43 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1vs7 h LYS 43 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1vs7 h LYS 43 CO 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.87 1vs7 n ALA 44 N -2.47 -0.19 0.25 0.07 0.00 -1.26 -3.51 120.51 113.39 1vs7 n ALA 44 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1vs7 n ALA 44 Cb 1.03 0.01 0.61 0.00 0.00 0.00 0.00 19.45 21.10 1vs7 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h ALA 45 N -1.99 1.13 -1.04 0.00 0.00 -1.90 -2.11 119.26 113.35 1vs7 h ALA 45 Ca 0.00 -0.15 0.38 0.00 0.00 0.00 0.00 54.91 55.14 1vs7 h ALA 45 Cb 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.60 1vs7 h ALA 45 CO 0.00 0.21 0.59 0.00 0.00 0.00 0.00 179.25 180.04 1vs7 h ALA 46 N 1.84 2.16 0.00 0.00 0.00 -0.82 0.27 119.26 122.70 1vs7 h ALA 46 Ca -0.00 0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1vs7 h ALA 46 Cb 0.54 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1vs7 h ALA 46 CO 0.02 -0.86 -1.94 1.04 0.00 0.00 0.00 179.25 177.51 1vs7 n GLN 47 N -5.11 0.41 -0.21 0.00 6.02 -1.18 -4.13 117.38 113.18 1vs7 n GLN 47 Ca 0.36 0.10 0.31 0.00 -0.01 0.00 0.00 57.00 57.76 1vs7 n GLN 47 Cb 1.19 -1.32 0.70 0.00 1.02 0.00 0.00 30.24 31.83 1vs7 n GLN 47 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1vs7 h LYS 48 N -0.04 0.00 0.00 -1.09 1.63 -0.66 0.10 116.57 116.51 1vs7 h LYS 48 Ca -0.37 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.10 1vs7 h LYS 48 Cb 1.56 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 33.13 1vs7 h LYS 48 CO -0.07 0.00 -2.12 0.00 -3.45 0.00 0.00 179.45 173.81 1vs7 n ALA 49 N -2.57 1.55 0.33 5.00 0.00 0.88 -4.25 120.51 121.44 1vs7 n ALA 49 Ca 0.21 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 1vs7 n ALA 49 Cb 1.17 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 1vs7 n ALA 49 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1vs7 h PHE 50 N 0.00 -0.94 0.00 0.00 3.04 -0.95 -1.73 116.94 116.36 1vs7 h PHE 50 Ca -0.43 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.50 1vs7 h PHE 50 Cb 2.12 0.33 0.00 0.00 2.56 0.00 0.00 35.95 40.96 1vs7 h PHE 50 CO 0.00 -0.54 0.20 -2.95 -2.02 0.00 0.00 178.31 173.00 1vs7 h ASN 51 N -0.90 0.00 0.93 0.41 7.08 -1.75 0.40 115.58 121.75 1vs7 h ASN 51 Ca -0.08 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 52.96 1vs7 h ASN 51 Cb 0.71 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.93 1vs7 h ASN 51 CO 0.09 0.00 -0.85 -0.08 -2.08 0.00 0.00 177.43 174.51 1vs7 h GLU 52 N 0.00 0.00 0.00 4.14 4.81 -1.50 -3.34 114.58 118.69 1vs7 h GLU 52 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1vs7 h GLU 52 Cb 0.40 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1vs7 h GLU 52 CO 0.00 0.85 -2.24 0.00 -0.73 0.00 0.00 179.01 176.90 1vs7 n MET 53 N -3.46 0.68 -0.36 1.92 0.00 0.12 -4.36 117.12 111.66 1vs7 n MET 53 Ca -0.00 0.04 0.02 0.00 0.00 0.00 0.00 57.70 57.76 1vs7 n MET 53 Cb 0.83 -1.57 0.08 0.00 0.00 0.00 0.00 33.22 32.56 1vs7 n MET 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1vs7 n GLN 54 N -2.79 -0.17 -0.08 3.17 7.27 -0.22 -0.38 117.38 124.18 1vs7 n GLN 54 Ca -0.29 1.50 -0.12 0.00 0.07 0.00 0.00 57.00 58.15 1vs7 n GLN 54 Cb 1.12 -2.23 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 1vs7 n GLN 54 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1vs7 h PRO 55 N 0.00 0.54 -0.32 3.69 0.13 -1.79 -0.30 132.00 133.95 1vs7 h PRO 55 Ca 0.39 -0.25 0.07 0.00 -0.87 0.00 0.00 66.00 65.35 1vs7 h PRO 55 Cb 0.63 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.68 1vs7 h PRO 55 CO -0.97 0.81 -0.21 0.82 -0.23 0.00 0.00 178.00 178.22 1vs7 h ILE 56 N 0.25 0.42 -0.07 -3.56 5.03 -0.91 0.29 117.51 118.97 1vs7 h ILE 56 Ca 0.05 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.77 1vs7 h ILE 56 Cb 0.67 0.42 -0.00 0.00 -3.03 0.00 0.00 36.82 34.88 1vs7 h ILE 56 CO 0.04 0.00 -0.03 0.58 -0.68 0.00 0.00 178.15 178.06 1vs7 h VAL 57 N -0.17 1.32 -0.61 1.67 2.07 -0.73 -2.20 116.25 117.60 1vs7 h VAL 57 Ca 0.16 -1.04 0.12 0.00 0.82 0.00 0.00 66.70 66.77 1vs7 h VAL 57 Cb 0.43 1.88 -0.10 0.00 -1.52 0.00 0.00 31.29 31.98 1vs7 h VAL 57 CO -0.42 0.29 0.07 0.44 0.02 0.00 0.00 177.57 177.96 1vs7 h ASP 58 N -0.24 -0.13 0.65 0.57 5.19 -0.63 0.40 116.42 122.22 1vs7 h ASP 58 Ca 0.01 0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1vs7 h ASP 58 Cb 0.47 0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.20 1vs7 h ASP 58 CO 0.01 -0.06 -0.31 -0.09 -3.12 0.00 0.00 179.24 175.67 1vs7 h ARG 59 N 0.18 -0.84 -1.16 3.56 2.43 -0.40 -0.57 114.38 117.59 1vs7 h ARG 59 Ca 0.32 0.06 0.34 0.00 -0.81 0.00 0.00 59.98 59.89 1vs7 h ARG 59 Cb 0.51 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.14 1vs7 h ARG 59 CO -0.46 -0.56 0.74 1.96 -1.51 0.00 0.00 179.97 180.14 1vs7 h GLN 60 N -0.88 0.25 0.17 0.20 1.08 -1.09 0.39 115.11 115.22 1vs7 h GLN 60 Ca -0.09 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1vs7 h GLN 60 Cb 0.67 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1vs7 h GLN 60 CO 0.15 0.16 -0.08 0.00 -0.95 0.00 0.00 178.83 178.11 1vs7 h ALA 61 N 1.61 -0.73 0.00 3.87 0.00 -0.63 -2.31 119.26 121.07 1vs7 h ALA 61 Ca 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1vs7 h ALA 61 Cb 1.96 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1vs7 h ALA 61 CO -0.34 -0.71 0.19 0.00 0.00 0.00 0.00 179.25 178.38 1vs7 n ALA 62 N -2.18 0.69 -0.05 0.00 0.00 -0.25 -1.14 120.51 117.58 1vs7 n ALA 62 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 1vs7 n ALA 62 Cb 0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 1vs7 n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vs7 n LYS 63 N -1.59 0.68 0.00 0.00 0.00 0.03 -5.02 118.16 112.25 1vs7 n LYS 63 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 58.31 58.49 1vs7 n LYS 63 Cb 0.20 -1.66 0.00 0.00 0.00 0.00 0.00 35.03 33.56 1vs7 n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vs7 n GLY 64 N 1.79 3.52 0.31 3.14 0.00 -0.29 -5.00 105.19 108.66 1vs7 n GLY 64 Ca -0.28 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.40 1vs7 n GLY 64 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vs7 h LEU 65 N 0.00 0.11 0.00 0.99 5.85 -1.70 -3.36 115.31 117.20 1vs7 h LEU 65 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1vs7 h LEU 65 Cb 0.00 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1vs7 h LEU 65 CO 0.00 -0.14 -0.50 0.00 -0.34 0.00 0.00 178.44 177.46 1vs7 n ILE 66 N -5.19 0.00 -0.71 4.05 0.13 -1.20 -5.02 119.36 111.41 1vs7 n ILE 66 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.88 1vs7 n ILE 66 Cb 0.73 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.83 1vs7 n ILE 66 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1vs7 n HIS 67 N -2.45 0.00 -1.39 9.51 -0.00 -0.84 -4.82 115.22 115.23 1vs7 n HIS 67 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1vs7 n HIS 67 Cb 0.25 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 1vs7 n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1vs7 n LYS 68 N 0.27 0.00 0.00 1.57 4.76 -1.26 -3.74 118.16 119.75 1vs7 n LYS 68 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1vs7 n LYS 68 Cb 0.00 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.50 1vs7 n LYS 68 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1vs7 n ASN 69 N -3.72 1.14 0.03 4.39 2.04 -1.26 -4.05 115.26 113.82 1vs7 n ASN 69 Ca 0.00 -0.95 0.21 0.00 -0.44 0.00 0.00 54.58 53.41 1vs7 n ASN 69 Cb 0.00 0.20 0.73 0.00 -2.53 0.00 0.00 39.78 38.18 1vs7 n ASN 69 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 1vs7 h LYS 70 N 1.30 0.00 0.13 -3.83 2.10 -1.88 0.30 116.57 114.69 1vs7 h LYS 70 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 1vs7 h LYS 70 Cb 0.54 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1vs7 h LYS 70 CO 0.00 0.00 -1.78 0.00 -2.00 0.00 0.00 179.45 175.67 1vs7 h ALA 71 N 1.59 0.31 -0.02 0.07 0.00 -1.70 -3.19 119.26 116.32 1vs7 h ALA 71 Ca 0.24 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.89 1vs7 h ALA 71 Cb 1.12 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1vs7 h ALA 71 CO -0.00 1.11 0.09 0.00 0.00 0.00 0.00 179.25 180.45 1vs7 h ALA 72 N 0.01 1.22 0.04 0.00 0.00 -0.80 -2.49 119.26 117.24 1vs7 h ALA 72 Ca -0.38 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.26 1vs7 h ALA 72 Cb 1.94 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1vs7 h ALA 72 CO 0.08 -0.10 -1.48 0.07 0.00 0.00 0.00 179.25 177.81 1vs7 h ARG 73 N 0.00 0.09 -0.85 0.00 0.11 -0.69 -3.31 114.38 109.73 1vs7 h ARG 73 Ca 0.01 -0.16 0.25 0.00 0.10 0.00 0.00 59.98 60.18 1vs7 h ARG 73 Cb 0.19 0.06 -0.16 0.00 1.11 0.00 0.00 29.97 31.18 1vs7 h ARG 73 CO -0.00 1.08 0.08 0.72 0.10 0.00 0.00 179.97 181.94 1vs7 n HIS 74 N -4.12 0.60 0.11 4.08 8.25 -0.94 0.44 115.22 123.64 1vs7 n HIS 74 Ca -0.32 1.02 -0.04 0.00 -0.26 0.00 0.00 57.72 58.12 1vs7 n HIS 74 Cb 0.80 -1.17 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 1vs7 n HIS 74 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1vs7 h LYS 75 N 0.00 -0.27 -0.44 -0.41 1.57 -1.71 -2.94 116.57 112.37 1vs7 h LYS 75 Ca 0.54 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.38 1vs7 h LYS 75 Cb 1.17 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1vs7 h LYS 75 CO -0.78 -0.18 -0.26 0.00 -0.57 0.00 0.00 179.45 177.66 1vs7 n ALA 76 N -2.17 -0.28 0.06 3.86 0.00 0.17 -0.11 120.51 122.04 1vs7 n ALA 76 Ca -0.04 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1vs7 n ALA 76 Cb 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1vs7 n ALA 76 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vs7 h ASN 77 N 0.00 -0.41 0.11 0.00 4.21 -1.42 0.45 115.58 118.52 1vs7 h ASN 77 Ca 0.07 0.06 0.02 0.00 1.21 0.00 0.00 56.30 57.66 1vs7 h ASN 77 Cb 0.18 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1vs7 h ASN 77 CO -0.42 -0.20 -0.26 -0.07 -1.29 0.00 0.00 177.43 175.19 1vs7 h LEU 78 N -0.24 -0.74 -0.16 1.61 3.38 -0.32 -2.11 115.31 116.72 1vs7 h LEU 78 Ca 0.04 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1vs7 h LEU 78 Cb 0.30 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1vs7 h LEU 78 CO -0.13 -0.35 0.09 0.74 0.09 0.00 0.00 178.44 178.88 1vs7 h THR 79 N -0.46 1.01 0.00 0.22 2.02 -0.50 0.17 112.91 115.36 1vs7 h THR 79 Ca 0.03 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1vs7 h THR 79 Cb 0.50 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1vs7 h THR 79 CO -0.16 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.77 1vs7 n ALA 80 N -2.16 1.60 0.00 6.16 0.00 0.15 -1.97 120.51 124.29 1vs7 n ALA 80 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1vs7 n ALA 80 Cb 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1vs7 n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vs7 n GLN 81 N -1.08 1.15 0.19 0.00 6.02 -0.38 -4.48 117.38 118.80 1vs7 n GLN 81 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.16 1vs7 n GLN 81 Cb 0.02 -0.98 0.48 0.00 1.02 0.00 0.00 30.24 30.79 1vs7 n GLN 81 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 1vs7 h ILE 82 N 0.00 0.00 0.00 5.09 3.07 -0.07 -2.86 117.51 122.73 1vs7 h ILE 82 Ca 0.00 -0.49 -0.12 0.00 1.55 0.00 0.00 64.86 65.80 1vs7 h ILE 82 Cb 0.23 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 1vs7 h ILE 82 CO 0.00 0.00 -0.81 0.78 -1.05 0.00 0.00 178.15 177.07 1vs7 h ASN 83 N 0.00 0.00 0.00 2.16 2.35 -1.81 -2.95 115.58 115.33 1vs7 h ASN 83 Ca 0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1vs7 h ASN 83 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1vs7 h ASN 83 CO 0.00 1.15 0.18 0.11 -1.65 0.00 0.00 177.43 177.22 1vs7 h LYS 84 N -1.00 0.00 0.00 0.81 1.57 -1.78 -3.08 116.57 113.09 1vs7 h LYS 84 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1vs7 h LYS 84 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1vs7 h LYS 84 CO -0.11 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.66 1vs7 n LEU 85 N -2.71 1.02 0.00 2.94 7.94 -1.08 -5.12 117.00 120.00 1vs7 n LEU 85 Ca -0.02 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1vs7 n LEU 85 Cb 0.23 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1vs7 n LEU 85 CO 0.13 -0.22 0.00 0.00 -1.11 0.00 0.00 177.39 176.19