#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6v s SER 2 N 0.00 4.47 -0.67 1.61 1.04 -1.26 -4.98 113.70 113.91 1f6v s SER 2 Ca 0.00 -1.71 -0.02 0.00 0.48 0.00 0.00 55.95 54.70 1f6v s SER 2 Cb 0.00 -1.48 0.32 0.00 0.10 0.00 0.00 66.02 64.96 1f6v s SER 2 CO 0.00 -0.29 2.15 -2.11 0.98 0.00 0.00 173.24 173.97 1f6v n ARG 3 N 4.42 2.57 -1.84 4.02 1.85 -1.26 -4.96 116.66 121.45 1f6v n ARG 3 Ca -0.05 -3.04 -0.20 0.00 -1.00 0.00 0.00 57.85 53.56 1f6v n ARG 3 Cb 0.42 -2.18 0.12 0.00 -1.05 0.00 0.00 32.46 29.77 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1f6v n ILE 4 N -0.33 0.00 -2.79 8.89 -5.35 -1.26 -5.00 119.36 113.52 1f6v n ILE 4 Ca 0.53 -1.02 -0.43 0.00 -0.27 0.00 0.00 62.75 61.57 1f6v n ILE 4 Cb 0.46 -1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 37.05 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f6v s ALA 5 N -3.49 3.45 0.01 -1.28 0.00 -1.26 -5.03 121.76 114.17 1f6v s ALA 5 Ca 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 1f6v s ALA 5 Cb -0.02 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1f6v s ALA 5 CO 0.37 -1.51 0.12 0.21 0.00 0.00 0.00 175.76 174.95 1f6v s LYS 6 N 3.44 3.18 1.05 0.00 2.47 -1.26 -5.08 119.74 123.55 1f6v s LYS 6 Ca 0.39 -0.46 -0.24 0.00 -1.56 0.00 0.00 55.97 54.10 1f6v s LYS 6 Cb -0.12 -2.93 -0.07 0.00 -1.46 0.00 0.00 37.83 33.25 1f6v s LYS 6 CO 0.17 0.64 -0.92 -2.13 0.16 0.00 0.00 175.35 173.27 1f6v n ARG 7 N 0.93 -0.68 -3.40 4.03 3.00 -1.26 -4.87 116.66 114.41 1f6v n ARG 7 Ca -0.11 -0.19 -0.44 0.00 -0.00 0.00 0.00 57.85 57.11 1f6v n ARG 7 Cb 0.52 -1.28 -0.07 0.00 0.00 0.00 0.00 32.46 31.63 1f6v n ARG 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1f6v s THR 8 N -2.09 4.95 0.09 5.15 -4.23 -1.26 -4.38 115.64 113.87 1f6v s THR 8 Ca 0.44 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1f6v s THR 8 Cb 0.02 -4.11 0.02 0.00 1.34 0.00 0.00 72.50 69.77 1f6v s THR 8 CO 0.65 -0.73 0.12 0.00 -0.54 0.00 0.00 174.62 174.13 1f6v n ALA 9 N 5.15 0.09 0.18 3.99 0.00 -0.83 -4.97 120.51 124.12 1f6v n ALA 9 Ca -0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 1f6v n ALA 9 Cb 0.42 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 1f6v n ALA 9 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f6v h ILE 10 N -0.21 0.00 -5.06 0.00 2.04 -1.34 -3.42 117.51 109.52 1f6v h ILE 10 Ca -0.04 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1f6v h ILE 10 Cb 0.17 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1f6v h ILE 10 CO 0.05 0.00 -0.73 -3.20 0.00 0.00 0.00 178.15 174.27 1f6v n ASN 11 N -3.45 -7.64 -3.55 1.72 4.05 -0.58 -4.12 115.26 101.69 1f6v n ASN 11 Ca -0.06 0.97 -0.19 0.00 0.45 0.00 0.00 54.58 55.76 1f6v n ASN 11 Cb 0.18 -5.11 0.00 0.00 1.23 0.00 0.00 39.78 36.09 1f6v n ASN 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1f6v n LYS 12 N 0.22 -1.54 -0.94 1.20 4.01 -1.26 -4.82 118.16 115.03 1f6v n LYS 12 Ca 0.05 1.05 -0.37 0.00 -0.51 0.00 0.00 58.31 58.53 1f6v n LYS 12 Cb 0.19 -3.30 0.06 0.00 -0.51 0.00 0.00 35.03 31.47 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1f6v n THR 13 N -2.14 0.00 -0.23 -0.18 -1.04 -1.26 -3.32 114.28 106.12 1f6v n THR 13 Ca -0.20 -0.20 0.02 0.00 -2.04 0.00 0.00 64.05 61.63 1f6v n THR 13 Cb 0.64 -0.12 0.10 0.00 -1.82 0.00 0.00 70.33 69.13 1f6v n THR 13 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1f6v h LYS 14 N -1.18 0.05 -0.67 -2.82 2.10 -1.90 1.31 116.57 113.46 1f6v h LYS 14 Ca -0.43 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.18 1f6v h LYS 14 Cb 1.36 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.65 1f6v h LYS 14 CO 0.25 0.04 0.27 0.87 -2.00 0.00 0.00 179.45 178.87 1f6v h LYS 15 N 0.06 1.00 -0.93 0.07 1.57 -2.00 -1.63 116.57 114.71 1f6v h LYS 15 Ca 0.34 -0.18 -0.23 0.00 -1.87 0.00 0.00 60.65 58.71 1f6v h LYS 15 Cb 0.56 -0.16 -0.14 0.00 0.08 0.00 0.00 32.23 32.57 1f6v h LYS 15 CO -0.63 0.84 0.29 0.00 -0.57 0.00 0.00 179.45 179.38 1f6v n ALA 16 N -2.39 4.12 -0.04 3.86 0.00 0.14 -3.90 120.51 122.29 1f6v n ALA 16 Ca 0.05 -1.62 -0.13 0.00 0.00 0.00 0.00 53.44 51.75 1f6v n ALA 16 Cb 0.17 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 1f6v n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f6v n ASP 17 N -0.26 1.06 -0.04 0.00 -0.08 0.40 -2.93 116.55 114.71 1f6v n ASP 17 Ca 0.31 0.22 0.02 0.00 -1.51 0.00 0.00 54.79 53.84 1f6v n ASP 17 Cb 1.12 -0.03 -0.13 0.00 2.34 0.00 0.00 41.12 44.41 1f6v n ASP 17 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1f6v n VAL 18 N -3.09 0.43 0.02 5.18 0.31 -1.26 -4.11 118.33 115.81 1f6v n VAL 18 Ca -0.27 -0.51 -0.05 0.00 -0.01 0.00 0.00 64.34 63.50 1f6v n VAL 18 Cb 1.07 -0.16 -0.11 0.00 -0.91 0.00 0.00 33.84 33.73 1f6v n VAL 18 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1f6v h LYS 19 N 0.00 0.00 0.00 5.55 5.09 -1.76 -3.29 116.57 122.15 1f6v h LYS 19 Ca -0.17 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.54 1f6v h LYS 19 Cb 1.26 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.59 1f6v h LYS 19 CO 0.01 0.55 -0.13 0.00 -2.09 0.00 0.00 179.45 177.79 1f6v h ALA 20 N 1.14 0.98 0.00 0.07 0.00 -1.73 -1.52 119.26 118.20 1f6v h ALA 20 Ca -0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1f6v h ALA 20 Cb 1.82 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1f6v h ALA 20 CO 0.08 0.16 -0.75 0.82 0.00 0.00 0.00 179.25 179.56 1f6v h ILE 21 N 0.00 1.44 0.05 0.00 5.03 -1.71 0.15 117.51 122.46 1f6v h ILE 21 Ca -0.00 -2.67 -0.31 0.00 -0.12 0.00 0.00 64.86 61.76 1f6v h ILE 21 Cb 0.77 2.48 -0.04 0.00 -3.03 0.00 0.00 36.82 37.00 1f6v h ILE 21 CO 0.02 0.74 -1.74 0.00 -0.68 0.00 0.00 178.15 176.49 1f6v h ALA 22 N 1.25 0.62 0.00 1.87 0.00 -1.60 -3.37 119.26 118.03 1f6v h ALA 22 Ca -0.01 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.51 1f6v h ALA 22 Cb 1.42 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1f6v h ALA 22 CO 0.10 1.46 -1.08 -3.47 0.00 0.00 0.00 179.25 176.26 1f6v n ASP 23 N -3.22 0.60 -4.72 0.00 2.03 -0.59 -4.63 116.55 106.01 1f6v n ASP 23 Ca -0.20 -0.14 -0.23 0.00 0.52 0.00 0.00 54.79 54.74 1f6v n ASP 23 Cb 1.05 0.83 0.11 0.00 -0.72 0.00 0.00 41.12 42.38 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6v s ALA 24 N -3.23 3.92 0.00 -1.67 0.00 0.51 -2.80 121.76 118.48 1f6v s ALA 24 Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1f6v s ALA 24 Cb 0.14 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1f6v s ALA 24 CO 0.81 -1.40 0.00 0.91 0.00 0.00 0.00 175.76 176.08 1f6v n TRP 25 N -2.75 0.00 -2.81 0.00 8.01 -1.26 -3.80 117.44 114.83 1f6v n TRP 25 Ca 0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.92 1f6v n TRP 25 Cb 0.61 0.04 0.01 0.00 -2.01 0.00 0.00 31.31 29.96 1f6v n TRP 25 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1f6v n GLN 26 N 8.47 4.25 0.01 -0.99 0.00 -1.25 -4.61 117.38 123.26 1f6v n GLN 26 Ca 0.00 -4.26 0.11 0.00 -0.00 0.00 0.00 57.00 52.84 1f6v n GLN 26 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 30.24 27.56 1f6v n GLN 26 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1f6v n ILE 27 N 1.87 0.05 0.00 1.69 0.00 -1.25 -4.81 119.36 116.91 1f6v n ILE 27 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 62.75 62.89 1f6v n ILE 27 Cb 0.34 0.52 0.00 0.00 0.00 0.00 0.00 39.64 40.50 1f6v n ILE 27 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1f6v n ASN 28 N -1.77 0.00 0.00 9.51 5.15 -1.26 -4.61 115.26 122.28 1f6v n ASN 28 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1f6v n ASN 28 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1f6v n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f6v n GLY 29 N -0.72 3.15 0.04 8.20 0.00 -1.26 -4.75 105.19 109.85 1f6v n GLY 29 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1f6v n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1f6v n GLU 30 N -0.94 2.50 -0.01 1.61 2.13 -1.26 -4.05 120.64 120.62 1f6v n GLU 30 Ca 0.00 -0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1f6v n GLU 30 Cb 0.00 -1.22 -0.13 0.00 0.27 0.00 0.00 31.44 30.36 1f6v n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1f6v n LYS 31 N -2.34 0.63 0.08 5.31 4.01 -1.26 -3.85 118.16 120.74 1f6v n LYS 31 Ca -0.14 0.29 -0.11 0.00 -0.51 0.00 0.00 58.31 57.84 1f6v n LYS 31 Cb 0.78 -1.80 -0.13 0.00 -0.51 0.00 0.00 35.03 33.37 1f6v n LYS 31 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1f6v h GLU 32 N 0.00 0.11 -0.02 1.97 -0.00 -1.77 -3.18 114.58 111.69 1f6v h GLU 32 Ca -0.26 -0.19 -0.03 0.00 -0.00 0.00 0.00 59.36 58.88 1f6v h GLU 32 Cb 1.94 0.07 -0.00 0.00 -0.00 0.00 0.00 28.75 30.76 1f6v h GLU 32 CO 0.07 1.08 -0.12 1.37 -0.00 0.00 0.00 179.01 181.42 1f6v h LEU 33 N 0.03 0.03 0.59 3.06 8.10 -1.70 -2.76 115.31 122.65 1f6v h LEU 33 Ca -0.07 -0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.89 1f6v h LEU 33 Cb 1.86 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 42.08 1f6v h LEU 33 CO 0.16 0.15 -0.28 -0.08 -4.11 0.00 0.00 178.44 174.28 1f6v h GLU 34 N 0.03 -0.76 -0.64 0.17 4.81 -1.65 0.10 114.58 116.63 1f6v h GLU 34 Ca 0.01 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1f6v h GLU 34 Cb 0.23 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.67 1f6v h GLU 34 CO 0.02 -0.51 -0.38 1.25 -0.73 0.00 0.00 179.01 178.66 1f6v h LEU 35 N -1.20 -1.31 -1.59 1.64 7.12 -1.57 0.72 115.31 119.12 1f6v h LEU 35 Ca -0.08 0.24 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 1f6v h LEU 35 Cb 0.61 0.64 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1f6v h LEU 35 CO 0.13 -0.31 -0.11 0.25 -0.13 0.00 0.00 178.44 178.27 1f6v h LEU 36 N -0.16 0.11 -2.03 2.25 7.12 -1.54 0.11 115.31 121.18 1f6v h LEU 36 Ca 0.23 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.24 1f6v h LEU 36 Cb 0.56 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1f6v h LEU 36 CO -0.72 0.24 0.34 -0.61 -0.13 0.00 0.00 178.44 177.56 1f6v h GLN 37 N 0.12 0.00 0.00 1.25 4.15 0.31 -1.16 115.11 119.79 1f6v h GLN 37 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1f6v h GLN 37 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1f6v h GLN 37 CO 0.02 0.00 -0.33 0.94 -1.93 0.00 0.00 178.83 177.53 1f6v n GLN 38 N -3.02 0.31 -0.01 1.69 -0.06 -0.47 -4.79 117.38 111.03 1f6v n GLN 38 Ca -0.01 -1.20 -0.02 0.00 -2.00 0.00 0.00 57.00 53.77 1f6v n GLN 38 Cb 0.40 -0.68 -0.01 0.00 -4.06 0.00 0.00 30.24 25.90 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1f6v n ILE 39 N -0.25 0.12 0.72 1.69 -0.00 0.27 -4.28 119.36 117.63 1f6v n ILE 39 Ca 0.03 -0.04 0.09 0.00 -0.00 0.00 0.00 62.75 62.83 1f6v n ILE 39 Cb 0.65 -1.13 0.42 0.00 -0.00 0.00 0.00 39.64 39.58 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v n ALA 40 N -2.87 1.90 0.43 -1.39 0.00 -1.10 -0.81 120.51 116.67 1f6v n ALA 40 Ca -0.04 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 40 Cb 0.53 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1f6v n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1f6v n GLN 41 N -1.44 0.38 -2.56 0.00 1.13 -1.26 -4.32 117.38 109.31 1f6v n GLN 41 Ca 0.06 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.14 1f6v n GLN 41 Cb 0.20 -1.66 0.05 0.00 0.11 0.00 0.00 30.24 28.93 1f6v n GLN 41 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1f6v n LYS 42 N -2.17 1.56 0.00 -1.09 -0.00 -0.38 -4.97 118.16 111.11 1f6v n LYS 42 Ca 0.01 -3.31 0.00 0.00 -0.00 0.00 0.00 58.31 55.02 1f6v n LYS 42 Cb 0.47 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 34.11 1f6v n LYS 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1f6v n PRO 43 N -0.44 0.00 -1.33 -1.58 -0.04 0.01 -1.53 135.00 130.10 1f6v n PRO 43 Ca 0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1f6v n PRO 43 Cb 0.86 -0.56 -0.05 0.00 -0.04 0.00 0.00 33.50 33.71 1f6v n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1f6v n GLY 44 N 1.80 1.21 0.00 0.55 0.00 -1.26 -1.97 105.19 105.52 1f6v n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f6v n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6v n ALA 45 N 1.03 0.00 -0.58 4.61 0.00 -1.26 -3.64 120.51 120.67 1f6v n ALA 45 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1f6v n ALA 45 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1f6v n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f6v n LEU 46 N 0.00 0.00 0.00 0.00 0.00 -1.26 -3.24 117.00 112.50 1f6v n LEU 46 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 56.01 56.72 1f6v n LEU 46 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 43.44 1f6v n LEU 46 CO 0.00 -0.21 0.00 0.54 0.00 0.00 0.00 177.39 177.72 1f6v n ARG 47 N -1.66 0.00 -0.17 1.96 1.74 1.95 0.62 116.66 121.10 1f6v n ARG 47 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1f6v n ARG 47 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1f6v n ARG 47 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1f6v h ILE 48 N 0.00 0.02 0.00 0.55 2.10 -1.53 0.20 117.51 118.85 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1f6v h ILE 48 Cb 0.00 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 35.75 1f6v h ILE 48 CO 0.00 0.00 -0.19 -0.07 -1.08 0.00 0.00 178.15 176.81 1f6v h LEU 49 N -0.34 0.00 -1.60 2.19 4.07 -0.00 -3.23 115.31 116.40 1f6v h LEU 49 Ca 0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1f6v h LEU 49 Cb 0.58 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1f6v h LEU 49 CO -0.64 0.03 -0.09 -1.13 -1.08 0.00 0.00 178.44 175.53 1f6v h ASN 50 N 0.00 0.13 -1.75 -0.43 -0.00 0.67 0.41 115.58 114.62 1f6v h ASN 50 Ca 0.00 -0.02 0.51 0.00 -0.00 0.00 0.00 56.30 56.79 1f6v h ASN 50 Cb 0.75 -0.03 -0.07 0.00 -0.00 0.00 0.00 38.32 38.97 1f6v h ASN 50 CO 0.00 0.25 1.27 -0.74 -0.00 0.00 0.00 177.43 178.20 1f6v h HIS 51 N 0.14 0.00 0.00 0.67 2.76 -1.19 0.15 115.15 117.69 1f6v h HIS 51 Ca 0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1f6v h HIS 51 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1f6v h HIS 51 CO 0.00 0.00 0.00 0.43 -1.30 0.00 0.00 177.93 177.06 1f6v n SER 52 N -3.99 0.34 0.06 3.26 7.64 -0.74 -4.59 113.62 115.60 1f6v n SER 52 Ca 0.39 -0.75 0.12 0.00 1.01 0.00 0.00 58.87 59.64 1f6v n SER 52 Cb 1.80 0.17 0.28 0.00 -1.01 0.00 0.00 64.21 65.46 1f6v n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1f6v n LEU 53 N -0.17 0.67 0.32 -3.43 7.94 0.14 -3.09 117.00 119.38 1f6v n LEU 53 Ca 0.00 0.34 0.19 0.00 -1.11 0.00 0.00 56.01 55.43 1f6v n LEU 53 Cb 0.08 -0.25 1.01 0.00 0.53 0.00 0.00 43.42 44.79 1f6v n LEU 53 CO 0.00 -0.07 1.16 -0.09 -1.11 0.00 0.00 177.39 177.27 1f6v h ARG 54 N 0.00 0.00 -0.82 1.96 2.43 -1.51 0.21 114.38 116.65 1f6v h ARG 54 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1f6v h ARG 54 Cb 0.70 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1f6v h ARG 54 CO 0.00 0.00 0.36 -0.07 -1.51 0.00 0.00 179.97 178.75 1f6v h LEU 55 N 0.00 1.10 -0.83 3.80 -0.00 -1.82 -2.86 115.31 114.70 1f6v h LEU 55 Ca 0.01 -0.15 0.29 0.00 -0.00 0.00 0.00 57.88 58.02 1f6v h LEU 55 Cb 0.33 -0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 40.62 1f6v h LEU 55 CO -0.00 0.95 0.53 0.00 -0.00 0.00 0.00 178.44 179.92 1f6v n ALA 56 N -2.42 0.82 -0.10 1.53 0.00 0.72 0.24 120.51 121.30 1f6v n ALA 56 Ca 0.08 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.89 1f6v n ALA 56 Cb 0.16 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1f6v n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6v n ALA 57 N -2.56 1.41 -2.13 0.00 0.00 -1.09 -3.81 120.51 112.33 1f6v n ALA 57 Ca 0.24 -1.11 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 1f6v n ALA 57 Cb 0.94 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 20.10 1f6v n ALA 57 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1f6v s MET 58 N -2.52 2.72 0.00 0.00 1.00 0.67 -4.72 119.30 116.45 1f6v s MET 58 Ca -0.23 -0.56 0.18 0.00 0.00 0.00 0.00 55.69 55.09 1f6v s MET 58 Cb 0.08 -5.14 0.91 0.00 0.00 0.00 0.00 34.83 30.68 1f6v s MET 58 CO 0.71 -3.28 1.61 -2.37 0.00 0.00 0.00 175.02 171.69 1f6v n THR 59 N 7.70 0.08 -0.02 2.05 5.66 -1.26 -4.16 114.28 124.34 1f6v n THR 59 Ca 0.40 -0.13 -0.01 0.00 -3.05 0.00 0.00 64.05 61.26 1f6v n THR 59 Cb 0.47 -0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1f6v n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f6v n ALA 60 N -0.36 0.14 -3.31 1.79 0.00 -1.26 -5.01 120.51 112.50 1f6v n ALA 60 Ca 0.14 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 1f6v n ALA 60 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 1f6v n ALA 60 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f6v n HIS 61 N -2.82 -2.08 -1.90 0.00 -0.00 -1.26 -4.62 115.22 102.54 1f6v n HIS 61 Ca -0.02 0.87 -0.23 0.00 -0.00 0.00 0.00 57.72 58.34 1f6v n HIS 61 Cb 0.08 -1.78 -0.07 0.00 -0.00 0.00 0.00 29.99 28.23 1f6v n HIS 61 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1f6v s GLY 62 N -1.81 -0.19 0.00 1.57 0.00 -1.26 -2.90 107.32 102.73 1f6v s GLY 62 Ca 0.21 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1f6v s GLY 62 CO 0.75 3.75 0.00 1.17 0.00 0.00 0.00 173.10 178.78 1f6v n LYS 63 N 8.61 0.00 0.00 2.90 0.00 -1.26 -5.08 118.16 123.33 1f6v n LYS 63 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.74 1f6v n LYS 63 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1f6v n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f6v n GLY 64 N 0.00 -0.19 1.21 3.14 0.00 -1.14 -5.10 105.19 103.11 1f6v n GLY 64 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1f6v n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1f6v n GLU 65 N -0.03 -0.47 0.00 1.61 0.28 -1.23 -4.93 120.64 115.88 1f6v n GLU 65 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1f6v n GLU 65 Cb 0.00 -0.32 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1f6v n GLU 65 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1f6v n ARG 66 N 1.53 0.00 0.00 3.44 3.00 -1.26 -5.00 116.66 118.37 1f6v n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1f6v n ARG 66 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1f6v n VAL 67 N 0.00 0.00 -3.52 5.15 3.14 -1.26 -4.88 118.33 116.96 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1f6v n VAL 67 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f6v n ASN 68 N 0.00 0.00 -0.17 6.55 4.13 -1.26 -4.88 115.26 119.63 1f6v n ASN 68 Ca 0.00 -0.80 0.29 0.00 1.68 0.00 0.00 54.58 55.75 1f6v n ASN 68 Cb 0.00 0.00 0.69 0.00 -1.54 0.00 0.00 39.78 38.93 1f6v n ASN 68 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1f6v h GLU 69 N 0.00 0.00 -0.11 3.52 4.11 -1.86 0.83 114.58 121.07 1f6v h GLU 69 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1f6v h GLU 69 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f6v h GLU 69 CO 0.00 0.00 -0.37 -0.44 0.07 0.00 0.00 179.01 178.27 1f6v h ASP 70 N 0.00 0.51 -0.56 3.06 3.32 -1.92 -3.25 116.42 117.57 1f6v h ASP 70 Ca 0.44 -0.62 0.10 0.00 0.02 0.00 0.00 57.03 56.97 1f6v h ASP 70 Cb 2.04 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 41.34 1f6v h ASP 70 CO -0.00 1.04 -0.17 0.00 -1.72 0.00 0.00 179.24 178.38 1f6v n TYR 71 N -4.35 0.12 0.08 4.55 9.36 0.29 0.10 117.16 127.31 1f6v n TYR 71 Ca -0.08 0.68 -0.12 0.00 3.32 0.00 0.00 57.90 61.71 1f6v n TYR 71 Cb 0.52 -0.77 -0.05 0.00 -0.63 0.00 0.00 39.34 38.41 1f6v n TYR 71 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1f6v h LEU 72 N 0.00 -0.86 -0.14 2.98 3.38 -1.60 1.43 115.31 120.51 1f6v h LEU 72 Ca 0.24 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1f6v h LEU 72 Cb 0.38 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1f6v h LEU 72 CO -0.57 -0.37 0.00 -1.14 0.09 0.00 0.00 178.44 176.46 1f6v n ARG 73 N -5.40 0.05 0.00 1.13 0.63 0.28 -1.07 116.66 112.29 1f6v n ARG 73 Ca -0.05 0.23 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1f6v n ARG 73 Cb 0.31 -1.59 0.11 0.00 0.45 0.00 0.00 32.46 31.74 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f6v n GLN 74 N -1.69 1.34 -0.10 -0.14 -0.06 1.00 -2.31 117.38 115.42 1f6v n GLN 74 Ca 0.04 -1.05 -0.15 0.00 -2.00 0.00 0.00 57.00 53.84 1f6v n GLN 74 Cb 0.23 -1.48 -0.05 0.00 -4.06 0.00 0.00 30.24 24.88 1f6v n GLN 74 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1f6v n ALA 75 N 0.09 0.90 -1.03 1.69 0.00 0.46 -3.42 120.51 119.19 1f6v n ALA 75 Ca 0.11 -0.82 -0.23 0.00 0.00 0.00 0.00 53.44 52.50 1f6v n ALA 75 Cb 0.46 0.02 0.14 0.00 0.00 0.00 0.00 19.45 20.07 1f6v n ALA 75 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1f6v n PHE 76 N -4.43 2.75 0.00 0.00 -1.74 -0.49 -4.45 117.46 109.11 1f6v n PHE 76 Ca -0.25 -1.96 0.00 0.00 -0.56 0.00 0.00 57.45 54.69 1f6v n PHE 76 Cb 0.59 -0.98 0.00 0.00 1.52 0.00 0.00 39.48 40.61 1f6v n PHE 76 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1f6v n ARG 77 N -0.87 0.00 0.30 3.97 5.12 -1.15 -4.74 116.66 119.28 1f6v n ARG 77 Ca 0.53 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.60 1f6v n ARG 77 Cb 1.32 -0.03 0.70 0.00 -1.16 0.00 0.00 32.46 33.29 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1f6v h GLU 78 N 0.00 0.00 0.00 5.56 -0.00 -1.48 -2.98 114.58 115.69 1f6v h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1f6v h GLU 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1f6v h GLU 78 CO 0.00 0.00 -0.33 1.28 -0.00 0.00 0.00 179.01 179.96 1f6v n LEU 79 N -2.93 0.74 0.00 3.06 4.32 -1.26 -5.06 117.00 115.86 1f6v n LEU 79 Ca -0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1f6v n LEU 79 Cb 0.50 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1f6v n LEU 79 CO 0.13 -0.44 0.00 -0.90 -1.22 0.00 0.00 177.39 174.97 1f6v n ASP 80 N -3.23 0.00 -1.05 -1.43 5.68 -1.13 -4.92 116.55 110.47 1f6v n ASP 80 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1f6v n ASP 80 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1f6v n ASP 80 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1f6v n LEU 81 N 0.00 -1.56 0.00 -2.12 4.77 -1.26 -4.91 117.00 111.92 1f6v n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f6v n LEU 81 Cb 0.00 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1f6v n LEU 81 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 1f6v n ASP 82 N -1.05 0.00 0.00 -1.43 5.68 -1.26 -4.96 116.55 113.53 1f6v n ASP 82 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f6v n ASP 82 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1f6v n ASP 82 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1f6v n VAL 83 N -0.44 0.00 0.15 2.12 0.24 -1.26 -4.75 118.33 114.38 1f6v n VAL 83 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.33 1f6v n VAL 83 Cb 0.00 0.00 0.39 0.00 -1.47 0.00 0.00 33.84 32.76 1f6v n VAL 83 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1f6v h ASP 84 N 0.00 0.15 -0.61 -1.34 5.19 -1.91 -1.51 116.42 116.39 1f6v h ASP 84 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1f6v h ASP 84 Cb 0.00 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1f6v h ASP 84 CO 0.00 0.36 0.00 2.30 -3.12 0.00 0.00 179.24 178.78 1f6v n ILE 85 N -4.24 0.81 0.00 0.35 -0.00 -1.26 -4.91 119.36 110.11 1f6v n ILE 85 Ca -0.01 -0.86 0.00 0.00 -0.00 0.00 0.00 62.75 61.87 1f6v n ILE 85 Cb 0.30 0.56 0.00 0.00 -0.00 0.00 0.00 39.64 40.50 1f6v n ILE 85 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1f6v n SER 86 N 1.47 0.00 -1.00 7.28 3.41 -0.57 -4.79 113.62 119.42 1f6v n SER 86 Ca 0.22 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1f6v n SER 86 Cb 0.58 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.66 1f6v n SER 86 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f6v n THR 87 N -0.09 0.16 -3.92 6.66 -2.24 -1.26 -4.85 114.28 108.74 1f6v n THR 87 Ca 0.00 -0.58 -0.35 0.00 -2.27 0.00 0.00 64.05 60.85 1f6v n THR 87 Cb 0.00 1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f6v s LEU 88 N -1.79 2.96 0.00 3.22 1.43 -1.26 -4.96 118.68 118.27 1f6v s LEU 88 Ca 0.31 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1f6v s LEU 88 Cb 0.20 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1f6v s LEU 88 CO 0.30 -0.05 0.00 0.18 0.23 0.00 0.00 176.35 177.01 1f6v n LEU 89 N 4.77 0.00 0.00 1.79 4.77 -1.26 -4.71 117.00 122.36 1f6v n LEU 89 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1f6v n LEU 89 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1f6v n LEU 89 CO 0.28 -0.42 0.00 -1.14 -1.33 0.00 0.00 177.39 174.78 1f6v n ARG 90 N -2.26 0.83 0.00 3.23 0.63 -1.26 -5.14 116.66 112.69 1f6v n ARG 90 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 1f6v n ARG 90 Cb 0.00 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.54 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39