#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 -0.30 -0.65 1.61 1.04 -1.26 -5.04 113.70 109.11 1f6v s SER 2 Ca 0.00 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 57.00 1f6v s SER 2 Cb 0.00 0.51 0.43 0.00 0.10 0.00 0.00 66.02 67.06 1f6v s SER 2 CO 0.00 -0.14 1.88 0.54 0.98 0.00 0.00 173.24 176.51 1f6v n ARG 3 N 3.69 2.86 0.00 4.02 1.74 -1.26 -4.59 116.66 123.12 1f6v n ARG 3 Ca -0.20 -3.51 0.12 0.00 -0.77 0.00 0.00 57.85 53.49 1f6v n ARG 3 Cb 0.55 -2.28 0.64 0.00 -1.02 0.00 0.00 32.46 30.35 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1f6v n ILE 4 N -0.79 0.16 -1.69 0.55 -5.35 -1.26 -4.79 119.36 106.18 1f6v n ILE 4 Ca 0.58 0.04 -0.29 0.00 -0.27 0.00 0.00 62.75 62.80 1f6v n ILE 4 Cb 0.61 -0.66 0.10 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.33 2.25 0.11 -1.28 0.00 -1.26 -5.05 121.76 114.20 1f6v s ALA 5 Ca 0.28 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1f6v s ALA 5 Cb 0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1f6v s ALA 5 CO 0.32 -1.88 0.28 0.15 0.00 0.00 0.00 175.76 174.64 1f6v s LYS 6 N -5.36 3.48 -0.09 0.00 1.02 -1.26 -4.98 119.74 112.55 1f6v s LYS 6 Ca 0.62 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 56.29 1f6v s LYS 6 Cb -0.13 -2.96 0.36 0.00 -0.52 0.00 0.00 37.83 34.58 1f6v s LYS 6 CO 0.52 0.53 1.08 2.89 -0.92 0.00 0.00 175.35 179.46 1f6v n ARG 7 N -0.06 2.63 -0.64 1.68 1.85 -1.26 -3.85 116.66 117.01 1f6v n ARG 7 Ca -0.05 -1.39 0.08 0.00 -1.00 0.00 0.00 57.85 55.50 1f6v n ARG 7 Cb 0.52 -1.77 0.35 0.00 -1.05 0.00 0.00 32.46 30.50 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1f6v n THR 8 N 0.30 1.89 -0.35 8.89 -1.04 -1.26 -4.53 114.28 118.18 1f6v n THR 8 Ca 0.12 -1.14 -0.03 0.00 -2.04 0.00 0.00 64.05 60.96 1f6v n THR 8 Cb 0.63 0.01 0.03 0.00 -1.82 0.00 0.00 70.33 69.18 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 0.97 -0.46 -1.08 2.41 0.00 -1.25 -5.01 120.51 116.08 1f6v n ALA 9 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1f6v n ALA 9 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1f6v n ALA 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f6v n ILE 10 N -2.98 0.00 -0.80 0.00 -0.00 0.14 -4.71 119.36 111.01 1f6v n ILE 10 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 1f6v n ILE 10 Cb 0.07 -0.45 0.00 0.00 -0.00 0.00 0.00 39.64 39.26 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 -0.82 -1.38 -3.23 4.38 4.05 0.71 -4.42 115.26 114.55 1f6v n ASN 11 Ca 0.00 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.75 1f6v n ASN 11 Cb 0.00 -0.69 0.03 0.00 1.23 0.00 0.00 39.78 40.35 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 0.74 -1.42 -1.14 1.20 4.01 -1.26 -4.73 118.16 115.55 1f6v n LYS 12 Ca 0.00 1.16 -0.37 0.00 -0.51 0.00 0.00 58.31 58.59 1f6v n LYS 12 Cb 0.00 -1.61 0.03 0.00 -0.51 0.00 0.00 35.03 32.94 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 0.15 0.27 -0.30 -0.18 -1.04 -1.26 -3.67 114.28 108.25 1f6v n THR 13 Ca -0.06 -0.48 -0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1f6v n THR 13 Cb 0.59 -0.13 0.06 0.00 -1.82 0.00 0.00 70.33 69.03 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1f6v h LYS 14 N -0.48 -0.05 -0.33 -2.82 6.56 -1.97 1.65 116.57 119.14 1f6v h LYS 14 Ca -0.43 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.08 1f6v h LYS 14 Cb 1.37 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 33.03 1f6v h LYS 14 CO 0.35 -0.03 -0.15 -0.22 -2.06 0.00 0.00 179.45 177.33 1f6v h LYS 15 N -0.05 0.58 -0.53 3.15 3.11 -1.99 -1.38 116.57 119.45 1f6v h LYS 15 Ca 0.34 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1f6v h LYS 15 Cb 0.60 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1f6v h LYS 15 CO -0.86 0.71 0.00 0.00 -2.81 0.00 0.00 179.45 176.50 1f6v n ALA 16 N -2.48 2.70 0.05 5.00 0.00 0.39 -3.58 120.51 122.58 1f6v n ALA 16 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 1f6v n ALA 16 Cb 0.36 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 1.46 0.51 0.00 0.00 3.58 0.30 -2.76 116.42 119.51 1f6v h ASP 17 Ca 0.00 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.53 1f6v h ASP 17 Cb 0.65 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1f6v h ASP 17 CO 0.08 1.40 -1.82 0.52 -2.88 0.00 0.00 179.24 176.53 1f6v n VAL 18 N -4.10 0.00 0.07 2.25 0.31 -1.25 -3.82 118.33 111.78 1f6v n VAL 18 Ca -0.14 -0.42 -0.01 0.00 -0.01 0.00 0.00 64.34 63.77 1f6v n VAL 18 Cb 0.83 0.11 -0.06 0.00 -0.91 0.00 0.00 33.84 33.81 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 -0.03 5.55 5.09 -1.72 -3.31 116.57 122.14 1f6v h LYS 19 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.52 1f6v h LYS 19 Cb 0.85 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.20 1f6v h LYS 19 CO 0.00 0.47 -0.85 0.00 -2.09 0.00 0.00 179.45 176.99 1f6v h ALA 20 N 1.35 0.14 -0.03 0.07 0.00 -1.67 -2.46 119.26 116.67 1f6v h ALA 20 Ca -0.10 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.18 1f6v h ALA 20 Cb 1.58 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1f6v h ALA 20 CO 0.07 0.57 0.44 0.82 0.00 0.00 0.00 179.25 181.14 1f6v h ILE 21 N 0.26 0.02 0.00 0.00 5.03 -1.66 1.31 117.51 122.47 1f6v h ILE 21 Ca -0.10 0.00 -0.15 0.00 -0.12 0.00 0.00 64.86 64.49 1f6v h ILE 21 Cb 1.51 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 35.85 1f6v h ILE 21 CO 0.17 0.00 -1.18 0.00 -0.68 0.00 0.00 178.15 176.45 1f6v n ALA 22 N -1.86 0.76 -0.40 1.87 0.00 -1.06 -4.30 120.51 115.52 1f6v n ALA 22 Ca -0.01 -0.64 0.05 0.00 0.00 0.00 0.00 53.44 52.84 1f6v n ALA 22 Cb 0.49 -0.13 0.30 0.00 0.00 0.00 0.00 19.45 20.11 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 -4.47 4.52 -0.12 0.00 -0.08 -0.87 -4.45 116.55 111.08 1f6v n ASP 23 Ca -0.24 -2.69 -0.26 0.00 -1.51 0.00 0.00 54.79 50.09 1f6v n ASP 23 Cb 0.55 -0.64 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 1f6v n ASP 23 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f6v n ALA 24 N 0.47 1.01 -1.91 -1.67 0.00 0.45 -3.49 120.51 115.36 1f6v n ALA 24 Ca 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1f6v n ALA 24 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1f6v n ALA 24 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1f6v n TRP 25 N -4.34 0.00 -1.86 0.00 8.01 -1.26 -4.56 117.44 113.44 1f6v n TRP 25 Ca -0.44 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.53 1f6v n TRP 25 Cb 0.79 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 30.01 1f6v n TRP 25 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1f6v s GLN 26 N 4.18 1.95 -0.05 -0.99 2.00 -1.25 -4.36 119.66 121.15 1f6v s GLN 26 Ca 0.00 -0.69 0.04 0.00 -2.00 0.00 0.00 55.36 52.70 1f6v s GLN 26 Cb 0.00 -5.10 -0.05 0.00 0.80 0.00 0.00 33.01 28.66 1f6v s GLN 26 CO 0.00 -4.53 0.01 1.51 -0.50 0.00 0.00 175.29 171.78 1f6v n ILE 27 N 8.34 0.32 0.07 -2.34 0.00 -1.26 -4.14 119.36 120.35 1f6v n ILE 27 Ca 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 62.75 62.99 1f6v n ILE 27 Cb 0.46 -0.86 0.00 0.00 0.00 0.00 0.00 39.64 39.25 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 -2.23 -0.75 0.00 9.51 5.15 -1.26 -3.65 115.26 122.04 1f6v n ASN 28 Ca -0.08 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1f6v n ASN 28 Cb 0.65 0.87 0.00 0.00 -0.53 0.00 0.00 39.78 40.77 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 0.28 2.25 0.02 8.20 0.00 -1.26 -4.86 105.19 109.82 1f6v n GLY 29 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.05 -0.00 1.61 2.13 -1.26 -4.19 120.64 119.98 1f6v n GLU 30 Ca 0.00 -0.07 -0.13 0.00 0.66 0.00 0.00 57.16 57.62 1f6v n GLU 30 Cb 0.00 -1.28 -0.14 0.00 0.27 0.00 0.00 31.44 30.29 1f6v n GLU 30 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1f6v h LYS 31 N 0.00 0.10 -0.26 5.31 6.56 -1.90 -3.34 116.57 123.03 1f6v h LYS 31 Ca -0.11 -0.17 -0.18 0.00 -1.06 0.00 0.00 60.65 59.13 1f6v h LYS 31 Cb 0.95 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.67 1f6v h LYS 31 CO 0.01 0.77 -0.56 1.05 -2.06 0.00 0.00 179.45 178.66 1f6v h GLU 32 N 0.03 0.81 -0.46 3.15 -0.00 -1.80 -2.90 114.58 113.41 1f6v h GLU 32 Ca -0.31 -0.52 0.07 0.00 -0.00 0.00 0.00 59.36 58.61 1f6v h GLU 32 Cb 2.01 0.06 -0.03 0.00 -0.00 0.00 0.00 28.75 30.80 1f6v h GLU 32 CO 0.09 1.15 0.31 1.37 -0.00 0.00 0.00 179.01 181.93 1f6v h LEU 33 N 0.62 0.29 0.40 3.06 8.10 -1.73 -2.56 115.31 123.49 1f6v h LEU 33 Ca 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.98 1f6v h LEU 33 Cb 1.15 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1f6v h LEU 33 CO 0.12 0.19 -0.19 -0.08 -4.11 0.00 0.00 178.44 174.37 1f6v h GLU 34 N 0.34 -0.52 -0.33 0.17 4.81 -1.63 0.21 114.58 117.62 1f6v h GLU 34 Ca 0.20 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 1f6v h GLU 34 Cb 0.37 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.79 1f6v h GLU 34 CO -0.05 -0.23 -0.34 1.25 -0.73 0.00 0.00 179.01 178.92 1f6v h LEU 35 N -0.79 -1.11 -1.88 1.64 7.12 -1.44 0.55 115.31 119.41 1f6v h LEU 35 Ca -0.06 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 35 Cb 0.53 0.50 -0.00 0.00 -0.53 0.00 0.00 40.66 41.16 1f6v h LEU 35 CO 0.09 -0.34 -0.11 0.25 -0.13 0.00 0.00 178.44 178.20 1f6v h LEU 36 N -0.30 0.00 -1.11 2.25 7.12 -1.49 0.12 115.31 121.90 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 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1f6v h LEU 36 CO -0.50 0.11 0.04 1.67 -0.13 0.00 0.00 178.44 179.64 1f6v n GLN 37 N -3.56 0.11 -0.46 1.25 7.27 0.19 -1.81 117.38 120.37 1f6v n GLN 37 Ca -0.02 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.65 1f6v n GLN 37 Cb 0.25 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.00 1f6v n GLN 37 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1f6v n GLN 38 N -2.09 0.00 0.00 3.69 6.02 -0.44 -4.90 117.38 119.66 1f6v n GLN 38 Ca -0.01 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.17 1f6v n GLN 38 Cb 0.07 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 30.91 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1f6v n ILE 39 N 0.00 0.00 1.12 5.09 2.08 -0.10 -4.36 119.36 123.19 1f6v n ILE 39 Ca 0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 1f6v n ILE 39 Cb 0.65 -0.48 0.61 0.00 -0.75 0.00 0.00 39.64 39.68 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 -2.42 2.24 0.58 -1.39 0.00 -1.16 -1.39 120.51 116.96 1f6v n ALA 40 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1f6v n ALA 40 Cb 0.46 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.32 0.72 -1.94 0.00 6.02 -1.26 -4.45 117.38 115.15 1f6v n GLN 41 Ca 0.11 -0.06 -0.01 0.00 -0.01 0.00 0.00 57.00 57.03 1f6v n GLN 41 Cb 0.21 -1.41 0.06 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.69 1.35 0.00 -1.09 -0.00 -0.94 -4.96 118.16 110.82 1f6v n LYS 42 Ca 0.01 -3.03 0.00 0.00 -0.00 0.00 0.00 58.31 55.29 1f6v n LYS 42 Cb 0.37 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 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 -0.29 0.00 -0.93 -1.58 -0.04 -0.49 0.24 135.00 131.91 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 0.93 -0.27 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 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 2.11 0.26 0.00 0.55 0.00 -1.26 -2.04 105.19 104.81 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 1.00 0.65 -0.73 4.61 0.00 -1.26 -4.43 120.51 120.35 1f6v n ALA 45 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1f6v n ALA 45 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.06 117.00 112.68 1f6v n LEU 46 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 56.01 56.64 1f6v n LEU 46 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.70 1f6v n LEU 46 CO 0.00 -0.13 0.00 0.54 0.00 0.00 0.00 177.39 177.80 1f6v n ARG 47 N -1.37 0.00 -0.22 1.96 1.74 4.04 0.33 116.66 123.13 1f6v n ARG 47 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1f6v n ARG 47 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1f6v n ARG 47 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1f6v h ILE 48 N 0.00 0.00 0.00 0.55 1.08 -1.54 0.63 117.51 118.22 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1f6v h ILE 48 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1f6v h ILE 48 CO 0.00 0.00 -0.45 -0.07 -0.69 0.00 0.00 178.15 176.94 1f6v h LEU 49 N -0.02 0.00 -2.04 1.44 4.07 -0.31 -3.28 115.31 115.17 1f6v h LEU 49 Ca 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1f6v h LEU 49 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1f6v h LEU 49 CO -0.52 0.04 -0.05 -1.13 -1.08 0.00 0.00 178.44 175.70 1f6v h ASN 50 N 0.00 0.00 -1.59 -0.43 -0.00 0.41 0.46 115.58 114.43 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 0.86 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.11 1f6v h ASN 50 CO 0.00 0.05 1.14 -0.74 -0.00 0.00 0.00 177.43 177.88 1f6v h HIS 51 N 0.00 0.02 0.00 0.67 2.76 -1.17 0.23 115.15 117.66 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 0.10 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.06 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 -4.07 0.31 0.05 3.26 7.64 -0.64 -4.52 113.62 115.64 1f6v n SER 52 Ca 0.35 -0.77 0.12 0.00 1.01 0.00 0.00 58.87 59.59 1f6v n SER 52 Cb 1.64 0.13 0.23 0.00 -1.01 0.00 0.00 64.21 65.20 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 -0.13 0.62 0.30 -3.43 7.94 0.15 -3.29 117.00 119.17 1f6v n LEU 53 Ca 0.00 0.22 0.20 0.00 -1.11 0.00 0.00 56.01 55.32 1f6v n LEU 53 Cb 0.10 -0.23 1.05 0.00 0.53 0.00 0.00 43.42 44.87 1f6v n LEU 53 CO 0.00 -0.02 1.11 -0.09 -1.11 0.00 0.00 177.39 177.27 1f6v h ARG 54 N 0.00 0.00 -0.47 1.96 2.43 -1.48 0.61 114.38 117.43 1f6v h ARG 54 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1f6v h ARG 54 Cb 0.68 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1f6v h ARG 54 CO 0.00 0.00 0.08 -0.07 -1.51 0.00 0.00 179.97 178.47 1f6v h LEU 55 N 0.00 0.68 -0.77 3.80 -0.00 -1.83 -2.79 115.31 114.40 1f6v h LEU 55 Ca 0.00 -0.13 0.28 0.00 -0.00 0.00 0.00 57.88 58.03 1f6v h LEU 55 Cb 0.08 -0.18 -0.09 0.00 -0.00 0.00 0.00 40.66 40.47 1f6v h LEU 55 CO 0.00 0.70 0.48 0.00 -0.00 0.00 0.00 178.44 179.62 1f6v n ALA 56 N -2.47 0.77 -0.06 1.53 0.00 0.21 0.20 120.51 120.69 1f6v n ALA 56 Ca 0.03 0.54 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 1f6v n ALA 56 Cb 0.24 -0.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 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 1.79 -1.79 0.00 0.00 -1.13 -3.83 120.51 112.98 1f6v n ALA 57 Ca 0.24 -0.84 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1f6v n ALA 57 Cb 0.90 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.44 1.99 -0.22 0.00 0.00 0.54 -4.68 119.30 114.49 1f6v s MET 58 Ca -0.07 -0.03 0.12 0.00 0.00 0.00 0.00 55.69 55.71 1f6v s MET 58 Cb 0.05 -4.95 0.73 0.00 0.00 0.00 0.00 34.83 30.66 1f6v s MET 58 CO 0.58 -4.12 1.63 -2.37 0.00 0.00 0.00 175.02 170.73 1f6v n THR 59 N 8.40 2.49 -0.19 10.11 5.66 -1.26 -3.98 114.28 135.50 1f6v n THR 59 Ca 0.44 -1.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.17 1f6v n THR 59 Cb 0.45 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.50 1.82 -0.33 1.79 0.00 -1.26 -4.80 120.51 118.23 1f6v n ALA 60 Ca 0.26 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 1f6v n ALA 60 Cb 1.12 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.62 1f6v n ALA 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1f6v h HIS 61 N 0.00 -0.90 -2.50 0.00 6.17 -1.97 -3.43 115.15 112.52 1f6v h HIS 61 Ca 0.00 0.09 -0.27 0.00 0.71 0.00 0.00 60.37 60.90 1f6v h HIS 61 Cb 0.55 0.53 -0.06 0.00 2.52 0.00 0.00 27.41 30.95 1f6v h HIS 61 CO 0.00 -0.40 -0.29 0.41 0.71 0.00 0.00 177.93 178.36 1f6v n GLY 62 N -1.49 0.42 0.00 5.26 0.00 -1.26 -4.66 105.19 103.46 1f6v n GLY 62 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.34 0.48 -2.97 1.61 4.81 -1.26 -5.02 118.16 113.46 1f6v n LYS 63 Ca -0.15 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.31 1f6v n LYS 63 Cb 0.53 -0.84 -0.00 0.00 0.02 0.00 0.00 35.03 34.74 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1f6v s GLY 64 N -3.45 -1.42 -0.04 3.14 0.00 -1.26 -5.13 107.32 99.16 1f6v s GLY 64 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 44.72 45.16 1f6v s GLY 64 CO 0.00 4.00 0.68 -1.83 0.00 0.00 0.00 173.10 175.95 1f6v s GLU 65 N 1.87 1.07 0.00 2.90 -1.05 -1.25 -4.25 118.70 117.99 1f6v s GLU 65 Ca 0.16 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.20 1f6v s GLU 65 Cb -0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 1f6v s GLU 65 CO -0.11 -0.34 0.00 -2.13 0.95 0.00 0.00 175.26 173.63 1f6v n ARG 66 N 0.85 3.08 -3.79 -4.83 0.63 -1.26 -4.98 116.66 106.36 1f6v n ARG 66 Ca -0.19 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.61 1f6v n ARG 66 Cb 0.57 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.37 1f6v n ARG 66 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1f6v s VAL 67 N 4.70 -0.00 0.00 5.15 1.01 -1.26 -4.59 120.40 125.40 1f6v s VAL 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1f6v s VAL 67 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1f6v s VAL 67 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 175.10 171.90 1f6v n ASN 68 N 2.96 0.00 0.24 3.32 2.85 -1.26 -3.71 115.26 119.65 1f6v n ASN 68 Ca -0.13 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.21 1f6v n ASN 68 Cb 0.58 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.53 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1f6v h GLU 69 N 0.00 -0.72 -0.77 1.20 3.07 -1.74 -2.91 114.58 112.71 1f6v h GLU 69 Ca 0.00 0.05 0.14 0.00 -0.50 0.00 0.00 59.36 59.05 1f6v h GLU 69 Cb 0.00 0.16 -0.14 0.00 -0.84 0.00 0.00 28.75 27.93 1f6v h GLU 69 CO 0.00 -0.48 -0.30 -0.44 -1.40 0.00 0.00 179.01 176.39 1f6v h ASP 70 N -0.75 -1.08 -0.42 1.42 5.19 -1.91 -0.43 116.42 118.44 1f6v h ASP 70 Ca -0.05 0.25 0.10 0.00 -0.62 0.00 0.00 57.03 56.71 1f6v h ASP 70 Cb 0.63 0.59 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1f6v h ASP 70 CO -0.00 -0.29 -0.04 0.00 -3.12 0.00 0.00 179.24 175.79 1f6v n TYR 71 N -5.48 0.21 0.24 4.55 9.36 -1.10 0.12 117.16 125.06 1f6v n TYR 71 Ca 0.08 0.51 -0.15 0.00 3.32 0.00 0.00 57.90 61.66 1f6v n TYR 71 Cb 0.39 -0.78 -0.08 0.00 -0.63 0.00 0.00 39.34 38.24 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 -0.61 0.00 2.98 3.38 -1.16 1.25 115.31 121.15 1f6v h LEU 72 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1f6v h LEU 72 Cb 0.42 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1f6v h LEU 72 CO -0.41 -0.39 0.00 0.54 0.09 0.00 0.00 178.44 178.27 1f6v n ARG 73 N -5.37 0.04 0.00 1.13 3.00 0.33 -1.16 116.66 114.63 1f6v n ARG 73 Ca -0.10 0.16 0.11 0.00 -0.01 0.00 0.00 57.85 58.01 1f6v n ARG 73 Cb 0.28 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.26 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f6v n GLN 74 N -1.47 0.67 -0.10 5.56 -0.06 0.66 -2.52 117.38 120.12 1f6v n GLN 74 Ca 0.05 -0.53 -0.14 0.00 -2.00 0.00 0.00 57.00 54.38 1f6v n GLN 74 Cb 0.22 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 24.86 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 -0.70 0.83 -0.85 1.69 0.00 0.42 -3.38 120.51 118.52 1f6v n ALA 75 Ca 0.08 -0.75 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 1f6v n ALA 75 Cb 0.40 -0.02 0.19 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.45 2.47 0.00 0.00 -1.74 -0.52 -4.41 117.46 108.81 1f6v n PHE 76 Ca -0.23 -1.46 0.00 0.00 -0.56 0.00 0.00 57.45 55.20 1f6v n PHE 76 Cb 0.55 -0.78 0.00 0.00 1.52 0.00 0.00 39.48 40.78 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 -0.64 0.00 0.17 3.97 5.12 -1.18 -4.75 116.66 119.36 1f6v n ARG 77 Ca 0.46 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.49 1f6v n ARG 77 Cb 1.43 -0.17 0.57 0.00 -1.16 0.00 0.00 32.46 33.12 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 -1.50 -3.22 114.58 115.42 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 -0.06 1.28 -0.00 0.00 0.00 179.01 180.23 1f6v n LEU 79 N -2.26 0.12 0.00 3.06 4.32 -1.26 -5.06 117.00 115.92 1f6v n LEU 79 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1f6v n LEU 79 Cb 0.11 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.40 1f6v n LEU 79 CO 0.09 -0.49 0.00 -0.90 -1.22 0.00 0.00 177.39 174.88 1f6v n ASP 80 N -2.62 0.00 -0.99 -1.43 5.68 -1.22 -4.99 116.55 110.98 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 -1.32 0.00 -2.12 4.77 -1.26 -4.92 117.00 112.16 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 -0.89 0.00 0.00 -1.43 5.68 -1.26 -4.99 116.55 113.67 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 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.35 0.00 -0.02 2.12 0.24 -1.26 -4.85 118.33 114.20 1f6v n VAL 83 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1f6v n VAL 83 Cb 0.00 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 32.61 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 0.55 -0.40 -1.34 5.19 -1.95 -1.50 116.42 116.97 1f6v h ASP 84 Ca 0.00 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1f6v h ASP 84 Cb 0.00 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1f6v h ASP 84 CO 0.00 0.68 0.00 2.30 -3.12 0.00 0.00 179.24 179.10 1f6v n ILE 85 N -4.22 0.53 -1.23 0.35 -0.00 -1.26 -4.74 119.36 108.78 1f6v n ILE 85 Ca 0.01 -0.58 -0.12 0.00 -0.00 0.00 0.00 62.75 62.07 1f6v n ILE 85 Cb 0.30 0.38 0.08 0.00 -0.00 0.00 0.00 39.64 40.41 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 0.81 -0.25 -1.29 7.28 3.41 -0.56 -4.78 113.62 118.23 1f6v n SER 86 Ca 0.16 -1.10 0.12 0.00 -0.26 0.00 0.00 58.87 57.78 1f6v n SER 86 Cb 0.40 -0.40 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 1f6v n SER 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1f6v n THR 87 N -2.86 0.89 -1.06 6.66 -1.04 -1.26 -4.13 114.28 111.47 1f6v n THR 87 Ca 0.06 -0.94 0.09 0.00 -2.04 0.00 0.00 64.05 61.22 1f6v n THR 87 Cb 0.23 0.61 0.18 0.00 -1.82 0.00 0.00 70.33 69.53 1f6v n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1f6v n LEU 88 N 1.59 2.89 -4.02 -4.42 4.77 -1.26 -4.97 117.00 111.58 1f6v n LEU 88 Ca 0.23 -3.10 -0.28 0.00 -0.03 0.00 0.00 56.01 52.84 1f6v n LEU 88 Cb 0.61 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 41.06 1f6v n LEU 88 CO 0.16 0.72 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.71 1f6v s LEU 89 N -2.88 1.60 0.00 2.23 2.01 -1.26 -4.96 118.68 115.42 1f6v s LEU 89 Ca 0.36 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 54.11 1f6v s LEU 89 Cb 0.30 -1.01 0.00 0.00 0.01 0.00 0.00 46.19 45.49 1f6v s LEU 89 CO 0.05 -0.02 0.00 -1.14 1.01 0.00 0.00 176.35 176.25 1f6v n ARG 90 N 4.37 0.00 0.00 1.70 0.63 -1.26 -4.91 116.66 117.18 1f6v n ARG 90 Ca -0.18 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 56.90 1f6v n ARG 90 Cb 0.51 0.00 0.84 0.00 0.45 0.00 0.00 32.46 34.26 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39