#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6v n SER 2 N 0.00 1.35 -3.97 1.61 7.64 -1.26 -4.81 113.62 114.19 1f6v n SER 2 Ca 0.00 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.61 1f6v n SER 2 Cb 0.00 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 61.79 1f6v n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f6v n ARG 3 N 8.38 4.02 0.00 1.43 0.63 -1.26 -4.65 116.66 125.21 1f6v n ARG 3 Ca 0.49 -4.56 0.06 0.00 -0.92 0.00 0.00 57.85 52.92 1f6v n ARG 3 Cb 0.38 -2.48 -0.00 0.00 0.45 0.00 0.00 32.46 30.81 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1f6v n ILE 4 N 1.45 0.00 -2.25 5.15 -5.35 -1.26 -4.94 119.36 112.17 1f6v n ILE 4 Ca 0.26 -0.36 -0.43 0.00 -0.27 0.00 0.00 62.75 61.95 1f6v n ILE 4 Cb 0.35 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.37 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 -1.59 3.40 -0.15 -1.28 0.00 -1.26 -4.85 121.76 116.03 1f6v s ALA 5 Ca 0.10 0.41 0.16 0.00 0.00 0.00 0.00 51.96 52.63 1f6v s ALA 5 Cb 0.10 -3.78 -0.24 0.00 0.00 0.00 0.00 23.12 19.20 1f6v s ALA 5 CO 0.32 -1.70 0.27 1.17 0.00 0.00 0.00 175.76 175.81 1f6v n LYS 6 N 7.32 0.67 -3.07 0.00 3.00 -1.26 -4.72 118.16 120.10 1f6v n LYS 6 Ca 0.17 0.09 -0.45 0.00 -0.00 0.00 0.00 58.31 58.11 1f6v n LYS 6 Cb 0.45 -1.61 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 1f6v n LYS 6 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1f6v s ARG 7 N -2.54 3.37 0.00 1.64 1.70 -1.26 -4.79 118.95 117.07 1f6v s ARG 7 Ca -0.08 -1.67 0.20 0.00 -0.47 0.00 0.00 55.73 53.71 1f6v s ARG 7 Cb 0.07 -4.53 -0.08 0.00 -0.57 0.00 0.00 34.95 29.84 1f6v s ARG 7 CO 0.83 -1.60 0.94 2.41 -1.08 0.00 0.00 175.30 176.80 1f6v n THR 8 N 5.24 0.00 -2.70 4.99 -1.04 -1.26 -4.96 114.28 114.55 1f6v n THR 8 Ca 0.08 -0.20 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 1f6v n THR 8 Cb 0.46 1.15 0.09 0.00 -1.82 0.00 0.00 70.33 70.21 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6v s ALA 9 N -2.47 3.97 -1.03 2.41 0.00 -1.26 -5.01 121.76 118.36 1f6v s ALA 9 Ca 0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.30 1f6v s ALA 9 Cb 0.16 -1.88 0.31 0.00 0.00 0.00 0.00 23.12 21.71 1f6v s ALA 9 CO 0.61 -1.22 1.61 -0.89 0.00 0.00 0.00 175.76 175.88 1f6v n ILE 10 N -2.62 5.57 -1.68 0.00 -0.00 -1.24 -4.68 119.36 114.72 1f6v n ILE 10 Ca 0.14 -5.94 -0.47 0.00 -0.00 0.00 0.00 62.75 56.48 1f6v n ILE 10 Cb 0.61 -1.82 -0.04 0.00 -0.00 0.00 0.00 39.64 38.38 1f6v n ILE 10 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1f6v n ASN 11 N 0.63 3.60 -2.37 4.38 4.05 0.11 -3.69 115.26 121.97 1f6v n ASN 11 Ca 0.36 0.95 -0.09 0.00 0.45 0.00 0.00 54.58 56.25 1f6v n ASN 11 Cb 0.30 -1.40 0.01 0.00 1.23 0.00 0.00 39.78 39.92 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 6.89 -0.53 -1.46 1.20 4.01 -1.26 -4.63 118.16 122.38 1f6v n LYS 12 Ca 0.22 0.63 -0.46 0.00 -0.51 0.00 0.00 58.31 58.19 1f6v n LYS 12 Cb 0.32 -0.85 -0.02 0.00 -0.51 0.00 0.00 35.03 33.97 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 0.63 1.94 -0.27 -0.18 -1.04 -1.24 -4.24 114.28 109.88 1f6v n THR 13 Ca -0.02 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.54 1f6v n THR 13 Cb 0.36 -0.34 0.14 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.27 0.05 -0.40 -2.82 2.10 -1.95 1.82 116.57 116.65 1f6v h LYS 14 Ca -0.32 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.23 1f6v h LYS 14 Cb 1.41 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.71 1f6v h LYS 14 CO 0.57 0.04 -0.12 1.57 -2.00 0.00 0.00 179.45 179.51 1f6v h LYS 15 N 0.06 0.71 -0.74 0.07 2.10 -1.99 -1.33 116.57 115.45 1f6v h LYS 15 Ca 0.41 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1f6v h LYS 15 Cb 0.70 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1f6v h LYS 15 CO -0.73 0.81 0.00 0.00 -2.00 0.00 0.00 179.45 177.53 1f6v n ALA 16 N -2.49 3.17 0.08 0.07 0.00 0.33 -4.00 120.51 117.67 1f6v n ALA 16 Ca 0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 1f6v n ALA 16 Cb 0.36 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1f6v n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1f6v h ASP 17 N 2.16 0.24 0.26 0.00 3.58 0.35 -1.51 116.42 121.50 1f6v h ASP 17 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1f6v h ASP 17 Cb 1.22 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1f6v h ASP 17 CO 0.24 1.04 -1.01 0.52 -2.88 0.00 0.00 179.24 177.15 1f6v n VAL 18 N -3.62 0.07 0.01 2.25 0.31 -1.26 -3.80 118.33 112.29 1f6v n VAL 18 Ca -0.04 -0.14 -0.18 0.00 -0.01 0.00 0.00 64.34 63.97 1f6v n VAL 18 Cb 0.84 0.47 -0.14 0.00 -0.91 0.00 0.00 33.84 34.09 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 0.21 0.00 5.55 2.10 -1.74 -3.32 116.57 119.37 1f6v h LYS 19 Ca 0.00 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1f6v h LYS 19 Cb 0.63 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1f6v h LYS 19 CO 0.00 1.05 0.00 0.00 -2.00 0.00 0.00 179.45 178.50 1f6v h ALA 20 N 0.31 1.00 0.03 0.07 0.00 -1.44 -1.50 119.26 117.73 1f6v h ALA 20 Ca -0.38 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 1f6v h ALA 20 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1f6v h ALA 20 CO 0.10 0.00 -1.00 0.82 0.00 0.00 0.00 179.25 179.16 1f6v h ILE 21 N 0.00 1.57 0.00 0.00 5.03 -1.66 0.78 117.51 123.23 1f6v h ILE 21 Ca 0.00 -2.97 -0.29 0.00 -0.12 0.00 0.00 64.86 61.48 1f6v h ILE 21 Cb 0.47 2.70 -0.05 0.00 -3.03 0.00 0.00 36.82 36.91 1f6v h ILE 21 CO 0.00 0.86 -1.76 0.00 -0.68 0.00 0.00 178.15 176.57 1f6v n ALA 22 N -2.44 1.53 0.19 1.87 0.00 -1.03 -4.17 120.51 116.46 1f6v n ALA 22 Ca -0.04 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.71 1f6v n ALA 22 Cb 0.90 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 1f6v n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f6v n ASP 23 N -3.00 0.55 -4.70 0.00 -0.08 -0.59 -4.61 116.55 104.11 1f6v n ASP 23 Ca -0.18 0.10 -0.23 0.00 -1.51 0.00 0.00 54.79 52.97 1f6v n ASP 23 Cb 1.05 0.96 0.11 0.00 2.34 0.00 0.00 41.12 45.57 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6v s ALA 24 N -3.36 3.84 0.00 -1.67 0.00 0.27 -2.45 121.76 118.38 1f6v s ALA 24 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1f6v s ALA 24 Cb 0.12 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1f6v s ALA 24 CO 0.83 -1.42 0.00 0.91 0.00 0.00 0.00 175.76 176.07 1f6v n TRP 25 N -2.78 0.00 -2.79 0.00 8.01 -1.26 -3.82 117.44 114.79 1f6v n TRP 25 Ca 0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.91 1f6v n TRP 25 Cb 0.61 0.05 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 3.83 3.98 -0.01 -0.99 -0.06 -1.25 -4.61 117.38 118.27 1f6v n GLN 26 Ca 0.00 -4.11 0.10 0.00 -2.00 0.00 0.00 57.00 50.98 1f6v n GLN 26 Cb 0.00 -2.71 -0.14 0.00 -4.06 0.00 0.00 30.24 23.33 1f6v n GLN 26 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 1f6v n ILE 27 N 2.47 0.00 0.00 1.69 0.00 -1.25 -4.75 119.36 117.51 1f6v n ILE 27 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 62.75 62.74 1f6v n ILE 27 Cb 0.36 0.35 0.00 0.00 0.00 0.00 0.00 39.64 40.34 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 -1.96 0.00 0.00 9.51 5.15 -1.26 -4.44 115.26 122.26 1f6v n ASN 28 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1f6v n ASN 28 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 -1.25 2.84 0.04 8.20 0.00 -1.26 -4.77 105.19 109.00 1f6v n GLY 29 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.71 2.36 0.03 1.61 2.13 -1.26 -4.14 120.64 120.65 1f6v n GLU 30 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1f6v n GLU 30 Cb 0.00 -1.21 -0.09 0.00 0.27 0.00 0.00 31.44 30.41 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 -2.37 0.62 0.15 5.31 4.01 -1.26 -3.85 118.16 120.77 1f6v n LYS 31 Ca -0.14 0.22 0.08 0.00 -0.51 0.00 0.00 58.31 57.96 1f6v n LYS 31 Cb 0.76 -1.81 0.06 0.00 -0.51 0.00 0.00 35.03 33.54 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 0.00 0.00 1.97 -0.00 -1.73 -3.23 114.58 111.59 1f6v h GLU 32 Ca -0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.05 1f6v h GLU 32 Cb 1.60 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.33 1f6v h GLU 32 CO 0.05 0.15 -0.65 1.37 -0.00 0.00 0.00 179.01 179.93 1f6v h LEU 33 N 0.00 0.00 0.46 3.06 8.10 -1.72 -3.20 115.31 122.00 1f6v h LEU 33 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.95 1f6v h LEU 33 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.38 1f6v h LEU 33 CO 0.02 0.65 -0.22 -0.08 -4.11 0.00 0.00 178.44 174.70 1f6v h GLU 34 N 0.00 -0.59 -0.49 0.17 4.81 -1.66 0.13 114.58 116.94 1f6v h GLU 34 Ca -0.01 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1f6v h GLU 34 Cb 1.14 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.56 1f6v h GLU 34 CO 0.08 -0.28 -0.47 1.25 -0.73 0.00 0.00 179.01 178.86 1f6v h LEU 35 N -0.94 -1.59 -1.83 1.64 7.12 -1.63 0.78 115.31 118.86 1f6v h LEU 35 Ca -0.06 0.24 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 1f6v h LEU 35 Cb 0.58 0.69 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 1f6v h LEU 35 CO 0.10 -0.36 -0.11 0.25 -0.13 0.00 0.00 178.44 178.19 1f6v h LEU 36 N -0.30 0.00 -1.31 2.25 7.12 -1.59 0.23 115.31 121.72 1f6v h LEU 36 Ca 0.14 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.20 1f6v h LEU 36 Cb 0.58 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.70 1f6v h LEU 36 CO -0.64 0.11 0.64 -0.61 -0.13 0.00 0.00 178.44 177.81 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.34 -0.80 115.11 120.05 1f6v h GLN 37 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1f6v h GLN 37 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1f6v h GLN 37 CO 0.01 0.00 -0.16 0.94 -1.93 0.00 0.00 178.83 177.69 1f6v n GLN 38 N -2.93 0.00 -0.01 1.69 7.27 -0.47 -4.89 117.38 118.04 1f6v n GLN 38 Ca 0.03 -0.58 0.02 0.00 0.07 0.00 0.00 57.00 56.53 1f6v n GLN 38 Cb 0.72 -0.42 -0.05 0.00 2.41 0.00 0.00 30.24 32.89 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1f6v n ILE 39 N 0.00 0.11 1.77 1.69 2.08 0.68 -4.31 119.36 121.38 1f6v n ILE 39 Ca 0.00 -0.19 0.16 0.00 0.56 0.00 0.00 62.75 63.28 1f6v n ILE 39 Cb 0.56 0.06 0.87 0.00 -0.75 0.00 0.00 39.64 40.38 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6v n ALA 40 N -1.86 2.62 0.54 -1.39 0.00 -1.13 -2.37 120.51 116.92 1f6v n ALA 40 Ca -0.03 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1f6v n ALA 40 Cb 0.31 -1.50 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.08 2.22 -0.98 0.00 6.02 -1.26 -4.47 117.38 117.83 1f6v n GLN 41 Ca 0.20 -0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.22 1f6v n GLN 41 Cb 0.16 -1.17 0.14 0.00 1.02 0.00 0.00 30.24 30.39 1f6v n GLN 41 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1f6v n LYS 42 N -1.42 1.04 -0.56 -1.09 2.85 -1.06 -4.85 118.16 113.07 1f6v n LYS 42 Ca 0.02 -2.84 -0.02 0.00 -1.05 0.00 0.00 58.31 54.42 1f6v n LYS 42 Cb 0.23 -1.03 -0.01 0.00 -0.65 0.00 0.00 35.03 33.57 1f6v n LYS 42 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1f6v n PRO 43 N -0.51 1.12 0.21 -1.58 -0.04 -1.00 0.08 135.00 133.27 1f6v n PRO 43 Ca 0.14 -0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.58 1f6v n PRO 43 Cb 0.87 -1.11 0.51 0.00 -0.04 0.00 0.00 33.50 33.72 1f6v n PRO 43 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1f6v h GLY 44 N 3.14 0.00 0.00 0.55 0.00 -1.89 -0.22 103.07 104.65 1f6v h GLY 44 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1f6v h GLY 44 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1f6v n ALA 45 N -1.91 1.42 -0.34 3.60 0.00 -1.26 -4.38 120.51 117.64 1f6v n ALA 45 Ca 0.04 -0.64 0.23 0.00 0.00 0.00 0.00 53.44 53.07 1f6v n ALA 45 Cb 0.78 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.70 1f6v n ALA 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1f6v h LEU 46 N 0.00 0.54 -0.61 0.00 7.12 -1.35 0.20 115.31 121.22 1f6v h LEU 46 Ca 0.00 0.17 0.13 0.00 0.13 0.00 0.00 57.88 58.30 1f6v h LEU 46 Cb 0.67 0.10 -0.11 0.00 -0.53 0.00 0.00 40.66 40.80 1f6v h LEU 46 CO 0.00 -0.07 -0.03 -0.09 -0.13 0.00 0.00 178.44 178.12 1f6v h ARG 47 N 0.38 0.09 -0.07 1.25 2.43 -1.31 1.65 114.38 118.79 1f6v h ARG 47 Ca 0.71 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.89 1f6v h ARG 47 Cb 1.60 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1f6v h ARG 47 CO -0.55 0.06 -0.18 0.82 -1.51 0.00 0.00 179.97 178.61 1f6v h ILE 48 N 0.09 0.00 0.00 1.20 5.03 -0.40 0.34 117.51 123.76 1f6v h ILE 48 Ca 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 65.05 1f6v h ILE 48 Cb 0.50 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.29 1f6v h ILE 48 CO -0.55 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.10 1f6v n LEU 49 N -3.55 0.00 0.22 1.44 4.32 -0.99 -2.62 117.00 115.82 1f6v n LEU 49 Ca -0.02 0.30 0.07 0.00 -0.02 0.00 0.00 56.01 56.35 1f6v n LEU 49 Cb 0.12 -0.30 0.48 0.00 -1.62 0.00 0.00 43.42 42.10 1f6v n LEU 49 CO 0.02 -0.09 0.81 -1.13 -1.22 0.00 0.00 177.39 175.78 1f6v h ASN 50 N 0.00 0.00 -1.57 -1.43 -0.00 0.65 0.49 115.58 113.71 1f6v h ASN 50 Ca 0.00 0.00 0.46 0.00 -0.00 0.00 0.00 56.30 56.76 1f6v h ASN 50 Cb 0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.47 1f6v h ASN 50 CO 0.00 0.27 1.19 -0.74 -0.00 0.00 0.00 177.43 178.15 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.15 -0.34 115.15 117.09 1f6v h HIS 51 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1f6v h HIS 51 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1f6v h HIS 51 CO 0.00 0.00 0.00 0.45 -1.30 0.00 0.00 177.93 177.08 1f6v n SER 52 N -3.93 0.21 0.12 3.26 2.88 -0.88 -4.62 113.62 110.66 1f6v n SER 52 Ca 0.35 -0.79 0.07 0.00 -1.33 0.00 0.00 58.87 57.17 1f6v n SER 52 Cb 1.68 0.07 0.03 0.00 -0.75 0.00 0.00 64.21 65.23 1f6v n SER 52 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1f6v h LEU 53 N 0.00 0.00 -1.84 2.46 5.85 0.16 -3.09 115.31 118.85 1f6v h LEU 53 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1f6v h LEU 53 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1f6v h LEU 53 CO 0.00 0.23 0.50 -0.09 -0.34 0.00 0.00 178.44 178.73 1f6v h ARG 54 N 0.00 0.00 -0.65 1.25 2.43 -1.52 0.50 114.38 116.38 1f6v h ARG 54 Ca -0.04 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1f6v h ARG 54 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1f6v h ARG 54 CO 0.02 0.00 0.41 1.25 -1.51 0.00 0.00 179.97 180.14 1f6v h LEU 55 N 0.00 0.66 -0.40 3.80 7.12 -1.80 -2.72 115.31 121.97 1f6v h LEU 55 Ca 0.16 0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.34 1f6v h LEU 55 Cb 1.15 -0.14 -0.07 0.00 -0.53 0.00 0.00 40.66 41.07 1f6v h LEU 55 CO -0.00 0.46 0.20 0.00 -0.13 0.00 0.00 178.44 178.97 1f6v n ALA 56 N -2.31 0.40 -0.03 1.25 0.00 0.17 0.28 120.51 120.27 1f6v n ALA 56 Ca 0.07 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 1f6v n ALA 56 Cb 0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.75 1.04 -1.55 0.00 0.00 -1.04 -3.78 120.51 112.44 1f6v n ALA 57 Ca 0.15 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.72 1f6v n ALA 57 Cb 0.50 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 1f6v n ALA 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1f6v n MET 58 N -3.43 0.43 -0.54 0.00 0.00 0.79 -4.67 117.12 109.70 1f6v n MET 58 Ca -0.36 -0.90 0.02 0.00 0.00 0.00 0.00 57.70 56.46 1f6v n MET 58 Cb 1.03 -3.47 0.22 0.00 0.00 0.00 0.00 33.22 31.00 1f6v n MET 58 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1f6v n THR 59 N 8.51 1.67 -1.79 1.12 5.66 -1.26 -3.72 114.28 124.47 1f6v n THR 59 Ca 0.47 -0.84 0.02 0.00 -3.05 0.00 0.00 64.05 60.65 1f6v n THR 59 Cb 0.41 -0.41 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 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 0.26 2.03 -0.35 1.79 0.00 -1.26 -4.95 120.51 118.04 1f6v n ALA 60 Ca 0.18 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1f6v n ALA 60 Cb 0.84 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.28 0.00 0.00 0.00 -0.00 -1.24 -4.79 115.22 108.91 1f6v n HIS 61 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1f6v n HIS 61 Cb 0.68 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.41 1f6v n HIS 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1f6v n GLY 62 N -0.98 1.50 0.08 1.57 0.00 -1.26 -4.81 105.19 101.29 1f6v n GLY 62 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1f6v n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1f6v n LYS 63 N -2.00 0.91 -2.86 1.61 0.00 -1.26 -4.92 118.16 109.65 1f6v n LYS 63 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 58.31 58.30 1f6v n LYS 63 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1f6v s GLY 64 N -5.18 -1.43 -0.29 3.14 0.00 -1.26 -5.03 107.32 97.27 1f6v s GLY 64 Ca -0.09 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 1f6v s GLY 64 CO 0.77 4.24 0.56 -1.83 0.00 0.00 0.00 173.10 176.84 1f6v s GLU 65 N 2.12 0.53 0.00 2.90 -1.05 -1.25 -3.61 118.70 118.33 1f6v s GLU 65 Ca 0.17 0.91 0.00 0.00 -0.15 0.00 0.00 54.97 55.89 1f6v s GLU 65 Cb 0.02 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 1f6v s GLU 65 CO -0.16 -0.63 0.00 0.54 0.95 0.00 0.00 175.26 175.96 1f6v n ARG 66 N 5.42 0.00 0.02 -4.83 1.74 -1.26 -4.94 116.66 112.80 1f6v n ARG 66 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1f6v n ARG 66 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 1f6v n ARG 66 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1f6v n VAL 67 N 0.00 0.00 -1.19 1.55 0.31 -1.26 -4.82 118.33 112.92 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1f6v n VAL 67 Cb 0.00 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1f6v n VAL 67 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1f6v n ASN 68 N -2.57 0.00 -0.31 4.52 5.15 -1.26 -4.64 115.26 116.14 1f6v n ASN 68 Ca 0.00 -0.05 0.15 0.00 -0.60 0.00 0.00 54.58 54.08 1f6v n ASN 68 Cb 0.00 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 39.54 1f6v n ASN 68 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1f6v n GLU 69 N -0.05 -0.07 -0.04 1.20 2.13 -1.26 0.98 120.64 123.52 1f6v n GLU 69 Ca 0.00 1.36 -0.08 0.00 0.66 0.00 0.00 57.16 59.09 1f6v n GLU 69 Cb 0.00 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 29.51 1f6v n GLU 69 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1f6v h ASP 70 N 0.00 -0.76 -0.20 4.31 3.32 -1.91 -2.26 116.42 118.92 1f6v h ASP 70 Ca 0.58 0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.79 1f6v h ASP 70 Cb 1.23 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 41.11 1f6v h ASP 70 CO -0.84 -0.27 -0.08 0.00 -1.72 0.00 0.00 179.24 176.33 1f6v n TYR 71 N -5.37 0.01 0.02 4.55 9.36 0.28 0.13 117.16 126.13 1f6v n TYR 71 Ca -0.01 0.25 -0.15 0.00 3.32 0.00 0.00 57.90 61.30 1f6v n TYR 71 Cb 0.29 -0.58 -0.10 0.00 -0.63 0.00 0.00 39.34 38.32 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 -1.68 -0.14 2.98 3.38 -1.51 1.16 115.31 119.50 1f6v h LEU 72 Ca 0.07 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f6v h LEU 72 Cb 0.12 0.65 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1f6v h LEU 72 CO -0.20 -0.50 0.08 0.03 0.09 0.00 0.00 178.44 177.94 1f6v h ARG 73 N -0.62 0.19 0.00 1.13 3.08 0.91 0.84 114.38 119.91 1f6v h ARG 73 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f6v h ARG 73 Cb 0.70 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1f6v h ARG 73 CO -0.40 0.19 0.00 0.94 -1.07 0.00 0.00 179.97 179.64 1f6v n GLN 74 N -4.95 0.03 -0.07 0.04 -0.06 -0.43 0.12 117.38 112.06 1f6v n GLN 74 Ca -0.05 0.50 -0.06 0.00 -2.00 0.00 0.00 57.00 55.40 1f6v n GLN 74 Cb 0.06 -1.61 -0.02 0.00 -4.06 0.00 0.00 30.24 24.61 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 -1.57 0.49 -0.92 1.69 0.00 0.39 -3.21 120.51 117.39 1f6v n ALA 75 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 1f6v n ALA 75 Cb 0.03 -0.04 0.25 0.00 0.00 0.00 0.00 19.45 19.69 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 -4.60 2.46 0.00 0.00 -1.74 -0.17 -4.41 117.46 109.01 1f6v n PHE 76 Ca -0.10 -1.31 0.00 0.00 -0.56 0.00 0.00 57.45 55.48 1f6v n PHE 76 Cb 0.31 -0.73 0.00 0.00 1.52 0.00 0.00 39.48 40.58 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 -0.38 0.00 0.15 3.97 5.12 0.32 -4.75 116.66 121.09 1f6v n ARG 77 Ca 0.43 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.45 1f6v n ARG 77 Cb 1.40 -0.30 0.53 0.00 -1.16 0.00 0.00 32.46 32.93 1f6v n ARG 77 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1f6v n GLU 78 N -1.14 0.13 -0.00 5.56 -0.00 -0.94 -3.44 120.64 120.81 1f6v n GLU 78 Ca 0.00 0.62 -0.00 0.00 -0.00 0.00 0.00 57.16 57.78 1f6v n GLU 78 Cb 0.00 -1.94 -0.00 0.00 -0.00 0.00 0.00 31.44 29.50 1f6v n GLU 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1f6v n LEU 79 N -2.18 0.10 0.00 -1.84 4.32 -1.26 -5.04 117.00 111.09 1f6v n LEU 79 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f6v n LEU 79 Cb 0.05 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1f6v n LEU 79 CO 0.09 -0.49 0.00 -0.90 -1.22 0.00 0.00 177.39 174.87 1f6v n ASP 80 N -2.60 0.00 -0.76 -1.43 5.68 -1.22 -4.96 116.55 111.26 1f6v n ASP 80 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1f6v n ASP 80 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.73 0.00 -2.12 4.77 -1.26 -4.95 117.00 111.71 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 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 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 -0.35 0.00 0.00 -1.43 5.68 -1.26 -4.99 116.55 114.20 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 0.43 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1f6v n VAL 83 N -1.63 0.00 -0.32 2.12 0.31 -1.26 -4.74 118.33 112.81 1f6v n VAL 83 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1f6v n VAL 83 Cb 0.00 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.01 1f6v n VAL 83 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1f6v h ASP 84 N 0.00 1.04 0.30 4.52 5.19 -1.93 -0.66 116.42 124.87 1f6v h ASP 84 Ca 0.00 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1f6v h ASP 84 Cb 0.00 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.25 1f6v h ASP 84 CO 0.00 0.81 -0.09 2.30 -3.12 0.00 0.00 179.24 179.14 1f6v n ILE 85 N -4.41 0.00 0.00 0.35 -0.00 -1.26 -4.79 119.36 109.24 1f6v n ILE 85 Ca 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 1f6v n ILE 85 Cb 0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1f6v n ILE 85 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1f6v n SER 86 N -0.86 0.00 -0.09 7.28 2.88 -0.25 -4.87 113.62 117.71 1f6v n SER 86 Ca 0.16 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.62 1f6v n SER 86 Cb 0.27 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.57 1f6v n SER 86 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1f6v n THR 87 N 0.00 1.21 -1.86 2.46 -1.04 -1.26 -4.83 114.28 108.96 1f6v n THR 87 Ca 0.00 -0.81 -0.39 0.00 -2.04 0.00 0.00 64.05 60.81 1f6v n THR 87 Cb 0.00 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6v s LEU 88 N -5.36 3.38 0.00 -4.42 1.02 -1.26 -4.70 118.68 107.34 1f6v s LEU 88 Ca -0.10 0.90 0.00 0.00 0.02 0.00 0.00 54.13 54.95 1f6v s LEU 88 Cb 0.07 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.45 1f6v s LEU 88 CO 0.83 -2.33 0.00 0.18 0.02 0.00 0.00 176.35 175.05 1f6v n LEU 89 N 12.99 0.00 0.00 1.79 4.32 -1.26 -4.53 117.00 130.31 1f6v n LEU 89 Ca 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1f6v n LEU 89 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1f6v n LEU 89 CO 0.70 0.00 0.00 -2.11 -1.22 0.00 0.00 177.39 174.76 1f6v n ARG 90 N 0.00 0.00 0.00 3.23 1.85 -1.26 -5.17 116.66 115.31 1f6v n ARG 90 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 1f6v n ARG 90 Cb 0.00 0.00 0.53 0.00 -1.05 0.00 0.00 32.46 31.94 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89