#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 -0.33 -2.06 1.61 7.64 -1.26 -4.91 113.62 114.31 1f6v n SER 2 Ca 0.00 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.79 1f6v n SER 2 Cb 0.00 0.44 0.12 0.00 -1.01 0.00 0.00 64.21 63.76 1f6v n SER 2 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1f6v n ARG 3 N -2.77 2.54 -0.13 1.43 1.85 -1.26 -5.00 116.66 113.32 1f6v n ARG 3 Ca 0.00 -3.31 -0.08 0.00 -1.00 0.00 0.00 57.85 53.46 1f6v n ARG 3 Cb 0.00 -2.18 0.07 0.00 -1.05 0.00 0.00 32.46 29.31 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 -1.00 0.00 -1.97 8.89 -0.00 -1.26 -4.82 119.36 119.21 1f6v n ILE 4 Ca 0.55 -0.04 -0.43 0.00 -0.00 0.00 0.00 62.75 62.83 1f6v n ILE 4 Cb 1.06 -0.53 -0.03 0.00 -0.00 0.00 0.00 39.64 40.14 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v s ALA 5 N -2.36 3.37 1.00 -1.28 0.00 -1.26 -4.98 121.76 116.25 1f6v s ALA 5 Ca 0.18 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1f6v s ALA 5 Cb -0.03 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1f6v s ALA 5 CO 0.14 -1.81 0.00 1.63 0.00 0.00 0.00 175.76 175.73 1f6v n LYS 6 N 7.58 -0.73 -0.89 0.00 5.02 -1.26 -5.00 118.16 122.88 1f6v n LYS 6 Ca 0.20 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1f6v n LYS 6 Cb 0.44 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.49 1f6v n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1f6v n ARG 7 N -1.17 0.17 -1.15 1.97 1.74 -1.26 -4.26 116.66 112.70 1f6v n ARG 7 Ca 0.00 -0.62 -0.05 0.00 -0.77 0.00 0.00 57.85 56.40 1f6v n ARG 7 Cb 0.00 -0.23 -0.02 0.00 -1.02 0.00 0.00 32.46 31.19 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1f6v n THR 8 N -1.99 0.00 -0.25 0.55 -1.04 -1.26 -4.94 114.28 105.34 1f6v n THR 8 Ca 0.04 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1f6v n THR 8 Cb 0.15 -1.15 0.12 0.00 -1.82 0.00 0.00 70.33 67.63 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6v n ALA 9 N 1.10 -2.18 -3.59 2.41 0.00 -1.23 -4.87 120.51 112.15 1f6v n ALA 9 Ca -0.05 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.37 1f6v n ALA 9 Cb 0.49 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 1f6v n ALA 9 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f6v s ILE 10 N -1.54 4.57 0.31 0.00 1.01 0.21 -4.35 121.20 121.41 1f6v s ILE 10 Ca 0.28 -3.52 -0.28 0.00 0.00 0.00 0.00 60.65 57.12 1f6v s ILE 10 Cb -0.05 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1f6v s ILE 10 CO 0.23 -1.06 1.09 0.21 0.00 0.00 0.00 174.94 175.41 1f6v s ASN 11 N 0.40 7.13 0.11 3.58 2.47 0.21 -4.49 114.94 124.35 1f6v s ASN 11 Ca 0.25 2.21 0.00 0.00 0.42 0.00 0.00 52.86 55.74 1f6v s ASN 11 Cb -0.10 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1f6v s ASN 11 CO -0.10 -0.24 0.00 0.29 -3.72 0.00 0.00 177.10 173.33 1f6v n LYS 12 N 0.86 0.00 -3.60 0.43 4.76 -1.26 -4.85 118.16 114.50 1f6v n LYS 12 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 1f6v n LYS 12 Cb 0.46 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.59 1f6v n LYS 12 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1f6v s THR 13 N 0.00 0.00 0.16 -0.18 2.01 -1.24 -4.94 115.64 111.45 1f6v s THR 13 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1f6v s THR 13 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1f6v s THR 13 CO 0.00 0.00 1.57 0.11 -0.69 0.00 0.00 174.62 175.61 1f6v h LYS 14 N 3.11 -0.24 -0.21 4.92 1.79 -1.98 2.57 116.57 126.52 1f6v h LYS 14 Ca -0.22 0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.08 1f6v h LYS 14 Cb 1.17 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1f6v h LYS 14 CO 0.24 -0.16 -0.62 0.87 -1.08 0.00 0.00 179.45 178.70 1f6v h LYS 15 N -0.25 0.74 -0.93 3.15 1.57 -2.02 -2.90 116.57 115.93 1f6v h LYS 15 Ca 0.17 -0.51 -0.18 0.00 -1.87 0.00 0.00 60.65 58.25 1f6v h LYS 15 Cb 0.57 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.85 1f6v h LYS 15 CO -0.67 1.14 0.23 0.00 -0.57 0.00 0.00 179.45 179.58 1f6v n ALA 16 N -2.56 3.82 0.06 3.86 0.00 -0.20 -4.09 120.51 121.39 1f6v n ALA 16 Ca -0.05 -1.33 -0.11 0.00 0.00 0.00 0.00 53.44 51.95 1f6v n ALA 16 Cb 0.66 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 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 1.03 0.15 0.59 0.00 3.58 0.46 -2.06 116.42 120.16 1f6v h ASP 17 Ca 0.22 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1f6v h ASP 17 Cb 1.74 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1f6v h ASP 17 CO 0.47 1.15 -1.06 0.52 -2.88 0.00 0.00 179.24 177.44 1f6v n VAL 18 N -3.35 0.29 0.02 2.25 0.31 -1.26 -3.84 118.33 112.74 1f6v n VAL 18 Ca -0.07 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 1f6v n VAL 18 Cb 0.99 0.01 -0.14 0.00 -0.91 0.00 0.00 33.84 33.79 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 0.14 0.00 5.55 5.09 -1.77 -3.26 116.57 122.31 1f6v h LYS 19 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 60.65 60.50 1f6v h LYS 19 Cb 0.82 0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.24 1f6v h LYS 19 CO 0.00 0.89 0.00 0.00 -2.09 0.00 0.00 179.45 178.25 1f6v n ALA 20 N -2.66 2.11 -0.04 0.07 0.00 -0.78 -1.86 120.51 117.35 1f6v n ALA 20 Ca -0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1f6v n ALA 20 Cb 1.04 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 1f6v n ALA 20 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f6v n ILE 21 N -1.31 1.58 -0.01 0.00 -0.00 -1.23 -2.48 119.36 115.91 1f6v n ILE 21 Ca 0.10 -0.77 -0.10 0.00 -0.00 0.00 0.00 62.75 61.97 1f6v n ILE 21 Cb 0.18 -1.04 -0.14 0.00 -0.00 0.00 0.00 39.64 38.64 1f6v n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v h ALA 22 N 0.78 0.68 0.00 -1.39 0.00 -1.58 -3.36 119.26 114.39 1f6v h ALA 22 Ca -0.39 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.14 1f6v h ALA 22 Cb 2.06 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.29 1f6v h ALA 22 CO 0.06 1.51 -1.14 -3.47 0.00 0.00 0.00 179.25 176.20 1f6v n ASP 23 N -3.14 0.59 -4.76 0.00 -0.08 -0.78 -4.60 116.55 103.78 1f6v n ASP 23 Ca -0.16 -0.04 -0.23 0.00 -1.51 0.00 0.00 54.79 52.85 1f6v n ASP 23 Cb 1.04 0.85 0.09 0.00 2.34 0.00 0.00 41.12 45.45 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 -3.28 3.88 0.00 -1.67 0.00 -1.04 -2.44 121.76 117.21 1f6v s ALA 24 Ca 0.01 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.22 1f6v s ALA 24 Cb 0.13 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1f6v s ALA 24 CO 0.81 -1.29 0.00 0.91 0.00 0.00 0.00 175.76 176.19 1f6v n TRP 25 N -2.69 0.00 -2.82 0.00 8.01 -1.26 -3.82 117.44 114.87 1f6v n TRP 25 Ca 0.14 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.90 1f6v n TRP 25 Cb 0.61 0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.97 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 3.08 3.81 -0.01 -0.99 -0.06 -1.25 -4.62 117.38 117.35 1f6v n GLN 26 Ca 0.00 -4.04 0.09 0.00 -2.00 0.00 0.00 57.00 51.05 1f6v n GLN 26 Cb 0.00 -2.77 -0.14 0.00 -4.06 0.00 0.00 30.24 23.28 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 2.90 0.00 0.00 1.69 0.00 -1.25 -4.71 119.36 118.00 1f6v n ILE 27 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 62.75 62.74 1f6v n ILE 27 Cb 0.37 0.32 0.00 0.00 0.00 0.00 0.00 39.64 40.33 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 -4.35 115.26 122.35 1f6v n ASN 28 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1f6v n ASN 28 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 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 -1.15 2.58 0.06 8.20 0.00 -1.26 -4.76 105.19 108.86 1f6v n GLY 29 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.09 1.91 -0.02 1.61 2.13 -1.26 -4.06 120.64 120.86 1f6v n GLU 30 Ca 0.00 -0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1f6v n GLU 30 Cb 0.00 -1.33 -0.14 0.00 0.27 0.00 0.00 31.44 30.24 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 -2.48 0.65 0.19 5.31 4.01 -1.26 -3.76 118.16 120.83 1f6v n LYS 31 Ca -0.21 0.29 0.12 0.00 -0.51 0.00 0.00 58.31 58.01 1f6v n LYS 31 Cb 0.91 -1.78 0.25 0.00 -0.51 0.00 0.00 35.03 33.90 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 0.01 0.00 0.02 1.97 -0.00 -1.72 -3.15 114.58 111.71 1f6v h GLU 32 Ca -0.31 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 58.84 1f6v h GLU 32 Cb 2.02 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.76 1f6v h GLU 32 CO 0.08 0.00 -0.95 1.37 -0.00 0.00 0.00 179.01 179.51 1f6v h LEU 33 N 0.00 0.34 0.20 3.06 8.10 -1.71 -3.10 115.31 122.20 1f6v h LEU 33 Ca 0.00 -0.29 -0.01 0.00 0.11 0.00 0.00 57.88 57.69 1f6v h LEU 33 Cb 0.91 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1f6v h LEU 33 CO 0.00 1.11 -0.10 -0.08 -4.11 0.00 0.00 178.44 175.27 1f6v h GLU 34 N 0.13 -0.26 -0.30 0.17 4.81 -1.63 0.21 114.58 117.70 1f6v h GLU 34 Ca -0.06 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1f6v h GLU 34 Cb 1.60 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.96 1f6v h GLU 34 CO 0.15 0.04 -0.29 1.25 -0.73 0.00 0.00 179.01 179.43 1f6v h LEU 35 N -0.56 -0.93 -1.88 1.64 7.12 -1.63 0.56 115.31 119.63 1f6v h LEU 35 Ca -0.03 0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 1f6v h LEU 35 Cb 0.41 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1f6v h LEU 35 CO 0.05 -0.31 -0.13 0.25 -0.13 0.00 0.00 178.44 178.17 1f6v h LEU 36 N -0.27 0.00 -1.19 2.25 7.12 -1.49 0.51 115.31 122.25 1f6v h LEU 36 Ca 0.15 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1f6v h LEU 36 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1f6v h LEU 36 CO -0.45 0.13 0.10 1.67 -0.13 0.00 0.00 178.44 179.75 1f6v n GLN 37 N -3.71 0.12 -0.52 1.25 7.27 0.19 -1.73 117.38 120.25 1f6v n GLN 37 Ca -0.02 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1f6v n GLN 37 Cb 0.24 -1.98 -0.00 0.00 2.41 0.00 0.00 30.24 30.91 1f6v n GLN 37 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1f6v n GLN 38 N -2.15 0.00 0.00 3.69 -0.06 -0.43 -4.90 117.38 113.53 1f6v n GLN 38 Ca -0.01 -0.79 0.00 0.00 -2.00 0.00 0.00 57.00 54.20 1f6v n GLN 38 Cb 0.13 -0.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.93 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 0.01 0.00 0.94 1.69 -0.00 0.04 -4.32 119.36 117.72 1f6v n ILE 39 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 62.75 62.86 1f6v n ILE 39 Cb 0.66 -0.52 0.53 0.00 -0.00 0.00 0.00 39.64 40.31 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 -2.47 2.11 0.48 -1.39 0.00 -1.15 -0.65 120.51 117.43 1f6v n ALA 40 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 40 Cb 0.47 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.40 0.55 -2.19 0.00 6.02 -1.26 -4.43 117.38 114.67 1f6v n GLN 41 Ca 0.08 -0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1f6v n GLN 41 Cb 0.23 -1.46 0.05 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.82 1.48 0.00 -1.09 -0.00 -0.90 -4.66 118.16 111.18 1f6v n LYS 42 Ca 0.00 -3.16 0.00 0.00 -0.00 0.00 0.00 58.31 55.15 1f6v n LYS 42 Cb 0.41 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.20 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 -0.34 0.00 -0.78 -1.58 -0.04 0.18 0.67 135.00 133.10 1f6v n PRO 43 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1f6v n PRO 43 Cb 0.91 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 34.19 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 1.84 0.74 0.00 0.55 0.00 -1.26 0.68 105.19 107.74 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 0.96 0.00 -0.38 4.61 0.00 -1.26 -4.27 120.51 120.17 1f6v n ALA 45 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1f6v n ALA 45 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 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 0.27 -0.37 0.00 7.12 -1.87 0.23 115.31 120.69 1f6v h LEU 46 Ca 0.00 0.08 0.08 0.00 0.13 0.00 0.00 57.88 58.17 1f6v h LEU 46 Cb 0.00 0.05 -0.07 0.00 -0.53 0.00 0.00 40.66 40.10 1f6v h LEU 46 CO 0.00 -0.02 -0.12 -0.09 -0.13 0.00 0.00 178.44 178.08 1f6v h ARG 47 N 0.20 -0.03 0.06 1.25 2.43 -1.35 2.37 114.38 119.31 1f6v h ARG 47 Ca 0.68 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 1f6v h ARG 47 Cb 2.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.64 1f6v h ARG 47 CO -0.27 -0.02 -0.23 0.82 -1.51 0.00 0.00 179.97 178.76 1f6v h ILE 48 N -0.04 0.00 0.00 1.20 1.08 -0.11 0.15 117.51 119.80 1f6v h ILE 48 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1f6v h ILE 48 Cb 0.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.06 1f6v h ILE 48 CO -0.40 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.24 1f6v n LEU 49 N -3.74 0.00 0.20 1.44 4.32 -1.08 -2.62 117.00 115.52 1f6v n LEU 49 Ca -0.04 0.17 0.07 0.00 -0.02 0.00 0.00 56.01 56.19 1f6v n LEU 49 Cb 0.18 -0.17 0.40 0.00 -1.62 0.00 0.00 43.42 42.20 1f6v n LEU 49 CO 0.07 -0.06 0.73 -1.13 -1.22 0.00 0.00 177.39 175.78 1f6v h ASN 50 N 0.00 0.00 -1.32 -1.43 -0.73 0.70 0.42 115.58 113.22 1f6v h ASN 50 Ca 0.00 0.00 0.38 0.00 1.87 0.00 0.00 56.30 58.55 1f6v h ASN 50 Cb 0.11 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.65 1f6v h ASN 50 CO 0.00 0.33 1.07 -0.74 -0.37 0.00 0.00 177.43 177.72 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.23 -0.39 115.15 116.96 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 0.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 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 -3.85 0.15 0.09 3.26 7.64 -1.00 -4.59 113.62 115.31 1f6v n SER 52 Ca 0.29 -0.48 0.12 0.00 1.01 0.00 0.00 58.87 59.81 1f6v n SER 52 Cb 1.48 0.28 0.20 0.00 -1.01 0.00 0.00 64.21 65.16 1f6v n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1f6v h LEU 53 N 0.00 0.00 -2.13 -3.43 4.07 0.14 -3.17 115.31 110.79 1f6v h LEU 53 Ca 0.00 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 57.88 1f6v h LEU 53 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1f6v h LEU 53 CO 0.00 0.06 0.31 -0.09 -1.08 0.00 0.00 178.44 177.63 1f6v h ARG 54 N 0.00 0.00 -0.81 1.13 2.43 -1.48 0.33 114.38 115.97 1f6v h ARG 54 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1f6v h ARG 54 Cb 0.80 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1f6v h ARG 54 CO 0.00 0.00 0.40 -0.07 -1.51 0.00 0.00 179.97 178.79 1f6v h LEU 55 N 0.00 1.05 -0.75 3.80 -0.00 -1.82 -2.81 115.31 114.78 1f6v h LEU 55 Ca 0.07 -0.13 0.26 0.00 -0.00 0.00 0.00 57.88 58.08 1f6v h LEU 55 Cb 0.68 -0.27 -0.08 0.00 -0.00 0.00 0.00 40.66 40.99 1f6v h LEU 55 CO -0.00 0.88 0.48 0.00 -0.00 0.00 0.00 178.44 179.80 1f6v n ALA 56 N -2.40 0.75 -0.11 1.53 0.00 0.12 0.23 120.51 120.62 1f6v n ALA 56 Ca 0.08 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 1f6v n ALA 56 Cb 0.13 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 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 1.49 -1.80 0.00 0.00 -1.08 -3.83 120.51 112.72 1f6v n ALA 57 Ca 0.22 -1.19 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 1f6v n ALA 57 Cb 0.86 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.14 1f6v n ALA 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1f6v s MET 58 N -2.49 2.18 -0.15 0.00 0.00 0.61 -4.75 119.30 114.70 1f6v s MET 58 Ca -0.22 0.45 0.05 0.00 0.00 0.00 0.00 55.69 55.97 1f6v s MET 58 Cb 0.07 -4.76 0.36 0.00 0.00 0.00 0.00 34.83 30.51 1f6v s MET 58 CO 0.69 -3.58 1.23 -2.37 0.00 0.00 0.00 175.02 170.99 1f6v n THR 59 N 8.06 1.60 0.05 10.11 5.66 -1.26 -4.23 114.28 134.27 1f6v n THR 59 Ca 0.38 -0.76 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1f6v n THR 59 Cb 0.48 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.08 3.00 -2.78 1.79 0.00 -1.26 -5.08 120.51 116.26 1f6v n ALA 60 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1f6v n ALA 60 Cb 0.84 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 -3.48 0.00 -1.79 0.00 -0.00 -1.26 -4.69 115.22 103.99 1f6v n HIS 61 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1f6v n HIS 61 Cb 0.02 -0.87 -0.01 0.00 -0.00 0.00 0.00 29.99 29.13 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 1.66 4.66 0.49 1.57 0.00 -1.26 -3.84 105.19 108.47 1f6v n GLY 62 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 3.67 0.00 0.00 1.61 3.00 -1.26 -5.11 118.16 120.06 1f6v n LYS 63 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 1f6v n LYS 63 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 35.29 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 -1.20 -0.19 3.34 3.14 0.00 -1.25 -5.13 105.19 103.90 1f6v n GLY 64 Ca 0.00 0.78 -0.14 0.00 0.00 0.00 0.00 46.02 46.66 1f6v n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1f6v s GLU 65 N 0.00 0.65 0.00 1.61 -1.05 -1.26 -4.48 118.70 114.16 1f6v s GLU 65 Ca 0.00 0.34 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 1f6v s GLU 65 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1f6v s GLU 65 CO 0.00 -0.14 0.00 -2.13 0.95 0.00 0.00 175.26 173.94 1f6v n ARG 66 N 2.10 3.51 -2.78 -4.83 0.63 -1.26 -5.01 116.66 109.02 1f6v n ARG 66 Ca -0.17 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.67 1f6v n ARG 66 Cb 0.57 0.00 0.07 0.00 0.45 0.00 0.00 32.46 33.54 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1f6v n VAL 67 N 0.00 0.20 -3.31 5.15 3.14 -1.26 -4.75 118.33 117.49 1f6v n VAL 67 Ca 0.00 -2.38 0.00 0.00 -2.96 0.00 0.00 64.34 59.00 1f6v n VAL 67 Cb 0.00 0.84 0.00 0.00 -1.06 0.00 0.00 33.84 33.62 1f6v n VAL 67 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1f6v n ASN 68 N -0.08 0.00 -0.33 6.55 5.15 -1.26 -4.90 115.26 120.40 1f6v n ASN 68 Ca 0.07 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.25 1f6v n ASN 68 Cb 0.77 0.00 0.40 0.00 -0.53 0.00 0.00 39.78 40.42 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1f6v h GLU 69 N 0.00 0.05 0.37 1.20 4.39 -1.84 0.35 114.58 119.10 1f6v h GLU 69 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1f6v h GLU 69 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1f6v h GLU 69 CO 0.00 0.04 -0.18 -0.44 -1.16 0.00 0.00 179.01 177.27 1f6v h ASP 70 N 0.06 -0.42 -0.16 1.42 3.32 -1.93 -3.04 116.42 115.67 1f6v h ASP 70 Ca 0.68 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.74 1f6v h ASP 70 Cb 1.57 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.20 1f6v h ASP 70 CO -0.81 -0.25 -0.05 0.00 -1.72 0.00 0.00 179.24 176.41 1f6v n TYR 71 N -5.28 0.04 0.07 4.55 9.36 0.12 0.14 117.16 126.16 1f6v n TYR 71 Ca -0.11 0.20 -0.14 0.00 3.32 0.00 0.00 57.90 61.17 1f6v n TYR 71 Cb 0.23 -0.59 -0.09 0.00 -0.63 0.00 0.00 39.34 38.27 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 -1.45 -0.55 2.98 3.38 -1.57 1.16 115.31 119.26 1f6v h LEU 72 Ca 0.07 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1f6v h LEU 72 Cb 0.11 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1f6v h LEU 72 CO -0.17 -0.47 0.22 0.08 0.09 0.00 0.00 178.44 178.18 1f6v h ARG 73 N -0.62 0.82 0.00 1.13 0.11 0.10 0.86 114.38 116.79 1f6v h ARG 73 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1f6v h ARG 73 Cb 0.65 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1f6v h ARG 73 CO -0.30 0.72 0.00 0.94 0.10 0.00 0.00 179.97 181.43 1f6v n GLN 74 N -4.50 0.02 -0.07 0.08 -0.06 -0.42 0.12 117.38 112.54 1f6v n GLN 74 Ca 0.03 0.42 -0.05 0.00 -2.00 0.00 0.00 57.00 55.40 1f6v n GLN 74 Cb 0.16 -1.56 -0.02 0.00 -4.06 0.00 0.00 30.24 24.77 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 -1.54 0.47 -0.91 1.69 0.00 0.39 -3.31 120.51 117.30 1f6v n ALA 75 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 1f6v n ALA 75 Cb 0.07 0.02 0.23 0.00 0.00 0.00 0.00 19.45 19.77 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 -4.55 2.49 0.00 0.00 -1.74 -0.26 -4.42 117.46 108.98 1f6v n PHE 76 Ca -0.08 -1.38 0.00 0.00 -0.56 0.00 0.00 57.45 55.44 1f6v n PHE 76 Cb 0.28 -0.75 0.00 0.00 1.52 0.00 0.00 39.48 40.53 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 -0.49 0.00 0.30 3.97 5.12 0.31 -4.74 116.66 121.14 1f6v n ARG 77 Ca 0.45 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.53 1f6v n ARG 77 Cb 1.42 -0.27 0.88 0.00 -1.16 0.00 0.00 32.46 33.33 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 -1.31 -3.24 114.58 115.59 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 0.00 1.28 -0.00 0.00 0.00 179.01 180.29 1f6v n LEU 79 N -2.78 0.00 0.00 3.06 4.32 -1.26 -5.06 117.00 115.27 1f6v n LEU 79 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1f6v n LEU 79 Cb 0.23 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1f6v n LEU 79 CO 0.14 -0.48 0.00 -0.90 -1.22 0.00 0.00 177.39 174.94 1f6v n ASP 80 N -2.45 0.00 -0.20 -1.43 5.68 -1.22 -4.95 116.55 111.98 1f6v n ASP 80 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f6v n ASP 80 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -1.33 0.00 -2.12 4.77 -1.26 -4.93 117.00 112.13 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 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1f6v n LEU 81 CO 0.00 0.00 -0.05 -0.90 -1.33 0.00 0.00 177.39 175.11 1f6v n ASP 82 N 1.67 0.47 0.00 -1.43 5.75 -1.26 -4.95 116.55 116.79 1f6v n ASP 82 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1f6v n ASP 82 Cb 0.47 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1f6v n ASP 82 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1f6v n VAL 83 N -0.15 0.00 -0.12 2.12 0.24 -1.26 -4.88 118.33 114.27 1f6v n VAL 83 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1f6v n VAL 83 Cb 0.00 0.00 0.23 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.73 -0.01 -1.34 5.19 -1.92 -0.85 116.42 118.23 1f6v h ASP 84 Ca 0.00 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1f6v h ASP 84 Cb 0.00 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1f6v h ASP 84 CO 0.00 0.67 -0.01 2.30 -3.12 0.00 0.00 179.24 179.08 1f6v n ILE 85 N -4.32 0.00 -1.42 0.35 -0.00 -1.26 -4.89 119.36 107.81 1f6v n ILE 85 Ca 0.04 -0.25 -0.30 0.00 -0.00 0.00 0.00 62.75 62.25 1f6v n ILE 85 Cb 0.17 0.53 0.19 0.00 -0.00 0.00 0.00 39.64 40.53 1f6v n ILE 85 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1f6v s SER 86 N -2.02 2.30 0.00 7.28 1.04 -0.32 -4.86 113.70 117.12 1f6v s SER 86 Ca 0.37 0.68 0.22 0.00 0.48 0.00 0.00 55.95 57.70 1f6v s SER 86 Cb 0.21 -1.00 0.02 0.00 0.10 0.00 0.00 66.02 65.35 1f6v s SER 86 CO 0.34 -3.28 1.09 0.41 0.98 0.00 0.00 173.24 172.78 1f6v n THR 87 N -4.20 0.00 -4.41 2.02 -1.04 -1.26 -4.92 114.28 100.46 1f6v n THR 87 Ca 0.11 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.05 61.52 1f6v n THR 87 Cb 0.59 1.29 -0.12 0.00 -1.82 0.00 0.00 70.33 70.27 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 -2.35 2.64 0.02 -4.42 1.02 -1.26 -4.96 118.68 109.37 1f6v s LEU 88 Ca 0.19 -0.54 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1f6v s LEU 88 Cb 0.18 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.88 1f6v s LEU 88 CO 0.51 0.20 0.00 -0.11 0.02 0.00 0.00 176.35 176.97 1f6v n LEU 89 N 1.01 -0.20 0.09 1.79 -0.00 -1.26 -4.90 117.00 113.52 1f6v n LEU 89 Ca -0.16 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1f6v n LEU 89 Cb 0.53 0.43 0.00 0.00 -0.00 0.00 0.00 43.42 44.38 1f6v n LEU 89 CO 0.27 -0.20 0.00 -1.14 -0.00 0.00 0.00 177.39 176.32 1f6v n ARG 90 N -2.34 0.00 0.00 1.96 0.63 -1.26 -5.22 116.66 110.43 1f6v n ARG 90 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1f6v n ARG 90 Cb 0.00 -0.20 0.25 0.00 0.45 0.00 0.00 32.46 32.96 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39