#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 3.94 -0.56 1.61 1.04 -1.26 -5.00 113.70 113.46 1f6v s SER 2 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1f6v s SER 2 Cb 0.00 -1.56 0.53 0.00 0.10 0.00 0.00 66.02 65.09 1f6v s SER 2 CO 0.00 0.17 1.94 0.54 0.98 0.00 0.00 173.24 176.88 1f6v n ARG 3 N 3.47 2.54 -0.62 4.02 1.74 -1.26 -4.98 116.66 121.58 1f6v n ARG 3 Ca -0.18 -3.22 -0.11 0.00 -0.77 0.00 0.00 57.85 53.57 1f6v n ARG 3 Cb 0.53 -2.23 0.08 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.00 0.00 -3.95 0.55 -5.35 -1.26 -5.04 119.36 103.30 1f6v n ILE 4 Ca 0.60 -0.31 -0.35 0.00 -0.27 0.00 0.00 62.75 62.42 1f6v n ILE 4 Cb 1.04 -1.61 -0.06 0.00 -1.74 0.00 0.00 39.64 37.27 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 -3.72 3.83 0.25 -1.28 0.00 -1.26 -5.10 121.76 114.48 1f6v s ALA 5 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1f6v s ALA 5 Cb -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1f6v s ALA 5 CO 0.20 0.67 0.00 1.63 0.00 0.00 0.00 175.76 178.25 1f6v n LYS 6 N 1.57 3.72 0.01 0.00 5.02 -1.26 -5.02 118.16 122.19 1f6v n LYS 6 Ca -0.16 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1f6v n LYS 6 Cb 0.54 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1f6v n LYS 6 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1f6v h ARG 7 N 0.00 -0.01 0.00 1.97 2.43 -2.03 -3.49 114.38 113.25 1f6v h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6v h ARG 7 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1f6v h ARG 7 CO 0.00 -0.01 0.00 2.41 -1.51 0.00 0.00 179.97 180.86 1f6v n THR 8 N -2.04 0.00 -2.83 0.20 -1.04 -1.26 -5.14 114.28 102.16 1f6v n THR 8 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1f6v n THR 8 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.76 0.00 0.19 2.41 0.00 -1.26 -4.98 120.51 115.11 1f6v n ALA 9 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1f6v n ALA 9 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.79 1.22 -1.12 0.00 5.41 -1.21 -4.96 119.36 117.91 1f6v n ILE 10 Ca 0.00 -0.65 -0.37 0.00 1.00 0.00 0.00 62.75 62.73 1f6v n ILE 10 Cb 0.00 -0.31 0.04 0.00 -0.71 0.00 0.00 39.64 38.66 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 0.34 -4.22 -0.35 4.38 4.05 0.16 -4.61 115.26 115.01 1f6v n ASN 11 Ca 0.13 0.43 0.37 0.00 0.45 0.00 0.00 54.58 55.95 1f6v n ASN 11 Cb 0.66 -0.89 0.66 0.00 1.23 0.00 0.00 39.78 41.44 1f6v n ASN 11 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1f6v h LYS 12 N -0.57 0.00 0.00 1.20 -0.00 -1.84 -3.46 116.57 111.90 1f6v h LYS 12 Ca -0.43 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.28 1f6v h LYS 12 Cb 1.36 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.57 1f6v h LYS 12 CO 0.34 0.00 -0.08 -2.37 -0.00 0.00 0.00 179.45 177.33 1f6v n THR 13 N -3.71 0.00 -0.08 0.07 5.66 -1.26 -0.63 114.28 114.32 1f6v n THR 13 Ca 0.28 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.16 1f6v n THR 13 Cb 1.51 -0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 70.17 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1f6v h LYS 14 N 0.00 0.49 0.26 1.09 1.57 -1.98 -0.98 116.57 117.03 1f6v h LYS 14 Ca 0.00 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1f6v h LYS 14 Cb 0.21 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1f6v h LYS 14 CO 0.00 0.74 -0.49 0.87 -0.57 0.00 0.00 179.45 180.00 1f6v h LYS 15 N 0.22 -0.78 -1.28 3.15 1.57 -1.95 -1.13 116.57 116.36 1f6v h LYS 15 Ca 0.06 0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 58.52 1f6v h LYS 15 Cb 0.58 0.18 -0.17 0.00 0.08 0.00 0.00 32.23 32.89 1f6v h LYS 15 CO 0.03 -0.52 0.48 0.00 -0.57 0.00 0.00 179.45 178.86 1f6v n ALA 16 N -2.86 5.05 -0.04 3.86 0.00 0.19 -4.35 120.51 122.36 1f6v n ALA 16 Ca -0.09 -1.94 -0.19 0.00 0.00 0.00 0.00 53.44 51.22 1f6v n ALA 16 Cb 0.42 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 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 1.27 0.16 1.55 0.00 3.58 0.17 -1.88 116.42 121.27 1f6v h ASP 17 Ca 0.36 -0.84 -0.09 0.00 0.42 0.00 0.00 57.03 56.88 1f6v h ASP 17 Cb 1.28 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 1f6v h ASP 17 CO 0.85 1.33 -0.43 0.58 -2.88 0.00 0.00 179.24 178.68 1f6v h VAL 18 N -0.74 0.75 0.00 2.25 2.07 -1.76 -0.67 116.25 118.16 1f6v h VAL 18 Ca -0.18 -2.04 -0.19 0.00 0.82 0.00 0.00 66.70 65.11 1f6v h VAL 18 Cb 1.35 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 1f6v h VAL 18 CO -0.01 0.42 -1.13 0.07 0.02 0.00 0.00 177.57 176.94 1f6v h LYS 19 N 0.00 0.00 0.00 1.57 2.10 -1.81 -3.06 116.57 115.37 1f6v h LYS 19 Ca -0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 1f6v h LYS 19 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1f6v h LYS 19 CO 0.06 0.59 -1.04 0.00 -2.00 0.00 0.00 179.45 177.06 1f6v h ALA 20 N 1.23 0.65 0.00 0.07 0.00 -1.33 -2.60 119.26 117.28 1f6v h ALA 20 Ca -0.11 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 1f6v h ALA 20 Cb 1.68 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1f6v h ALA 20 CO 0.08 0.75 -0.56 0.82 0.00 0.00 0.00 179.25 180.34 1f6v h ILE 21 N 0.00 1.05 0.03 0.00 5.03 -1.18 0.16 117.51 122.61 1f6v h ILE 21 Ca -0.09 -2.23 -0.32 0.00 -0.12 0.00 0.00 64.86 62.09 1f6v h ILE 21 Cb 1.47 2.35 -0.04 0.00 -3.03 0.00 0.00 36.82 37.57 1f6v h ILE 21 CO 0.05 0.55 -1.89 0.00 -0.68 0.00 0.00 178.15 176.18 1f6v n ALA 22 N -2.28 1.34 0.46 1.87 0.00 -1.16 -4.20 120.51 116.54 1f6v n ALA 22 Ca 0.01 -0.80 0.11 0.00 0.00 0.00 0.00 53.44 52.76 1f6v n ALA 22 Cb 0.70 -0.70 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.13 0.60 -4.71 0.00 2.03 -0.98 -4.62 116.55 105.74 1f6v n ASP 23 Ca -0.24 -0.10 -0.23 0.00 0.52 0.00 0.00 54.79 54.74 1f6v n ASP 23 Cb 1.06 0.81 0.11 0.00 -0.72 0.00 0.00 41.12 42.37 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 -3.24 3.89 0.00 -1.67 0.00 0.57 -2.66 121.76 118.64 1f6v s ALA 24 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1f6v s ALA 24 Cb 0.14 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1f6v s ALA 24 CO 0.80 -1.42 0.00 0.91 0.00 0.00 0.00 175.76 176.05 1f6v n TRP 25 N -2.77 0.00 -2.82 0.00 8.01 -1.26 -3.78 117.44 114.82 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 0.06 0.01 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 3.67 3.93 0.01 -0.99 -0.06 -1.24 -4.62 117.38 118.09 1f6v n GLN 26 Ca 0.00 -4.11 0.11 0.00 -2.00 0.00 0.00 57.00 51.00 1f6v n GLN 26 Cb 0.00 -2.72 -0.12 0.00 -4.06 0.00 0.00 30.24 23.34 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 2.57 0.11 0.00 1.69 0.00 -1.25 -4.66 119.36 117.83 1f6v n ILE 27 Ca 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 62.75 62.65 1f6v n ILE 27 Cb 0.36 0.10 0.00 0.00 0.00 0.00 0.00 39.64 40.10 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 -2.19 0.00 0.00 9.51 5.15 -1.26 -4.05 115.26 122.42 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 0.52 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 -1.27 1.71 0.05 8.20 0.00 -1.26 -4.79 105.19 107.82 1f6v n GLY 29 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 1.94 0.03 1.61 2.13 -1.26 -3.90 120.64 121.19 1f6v n GLU 30 Ca 0.00 -0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.78 1f6v n GLU 30 Cb 0.00 -1.27 -0.09 0.00 0.27 0.00 0.00 31.44 30.35 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 0.00 0.00 5.31 6.56 -1.87 -3.32 116.57 123.25 1f6v h LYS 31 Ca -0.24 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.24 1f6v h LYS 31 Cb 1.48 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.12 1f6v h LYS 31 CO 0.01 0.38 -0.96 1.05 -2.06 0.00 0.00 179.45 177.88 1f6v h GLU 32 N 0.00 0.00 0.00 3.15 -0.00 -1.74 -3.28 114.58 112.71 1f6v h GLU 32 Ca -0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.10 1f6v h GLU 32 Cb 1.68 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.41 1f6v h GLU 32 CO 0.06 0.28 -0.39 1.37 -0.00 0.00 0.00 179.01 180.33 1f6v h LEU 33 N 0.00 0.00 0.34 3.06 8.10 -1.68 -2.95 115.31 122.18 1f6v h LEU 33 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.90 1f6v h LEU 33 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.60 1f6v h LEU 33 CO 0.04 0.39 -0.16 -0.08 -4.11 0.00 0.00 178.44 174.52 1f6v h GLU 34 N 0.00 -0.43 -0.46 0.17 4.81 -1.66 0.33 114.58 117.35 1f6v h GLU 34 Ca -0.00 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1f6v h GLU 34 Cb 0.76 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.14 1f6v h GLU 34 CO 0.05 -0.21 -0.33 1.25 -0.73 0.00 0.00 179.01 179.04 1f6v h LEU 35 N -1.08 -1.12 -1.28 1.64 7.12 -1.62 0.68 115.31 119.65 1f6v h LEU 35 Ca -0.05 0.20 -0.07 0.00 0.13 0.00 0.00 57.88 58.09 1f6v h LEU 35 Cb 0.42 0.53 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 1f6v h LEU 35 CO 0.08 -0.32 -0.36 0.25 -0.13 0.00 0.00 178.44 177.96 1f6v h LEU 36 N -0.23 0.00 -1.25 2.25 7.12 -1.61 0.41 115.31 122.00 1f6v h LEU 36 Ca 0.19 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1f6v h LEU 36 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1f6v h LEU 36 CO -0.58 0.36 0.09 1.67 -0.13 0.00 0.00 178.44 179.85 1f6v n GLN 37 N -4.06 0.12 -1.62 1.25 7.27 0.23 -1.73 117.38 118.84 1f6v n GLN 37 Ca -0.02 0.62 0.01 0.00 0.07 0.00 0.00 57.00 57.67 1f6v n GLN 37 Cb 0.40 -2.00 0.01 0.00 2.41 0.00 0.00 30.24 31.06 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 -2.19 0.29 0.00 3.69 6.02 -0.14 -4.93 117.38 120.12 1f6v n GLN 38 Ca -0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 57.00 55.04 1f6v n GLN 38 Cb 0.12 -0.08 0.00 0.00 1.02 0.00 0.00 30.24 31.31 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 0.15 0.00 0.58 5.09 2.08 0.13 -4.71 119.36 122.68 1f6v n ILE 39 Ca -0.03 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.37 1f6v n ILE 39 Cb 0.99 -0.06 0.37 0.00 -0.75 0.00 0.00 39.64 40.19 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 -0.77 1.78 0.44 -1.39 0.00 -1.18 -1.43 120.51 117.95 1f6v n ALA 40 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1f6v n ALA 40 Cb 0.03 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.53 0.37 -1.89 0.00 6.02 -1.26 -4.34 117.38 114.75 1f6v n GLN 41 Ca 0.04 -0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 56.90 1f6v n GLN 41 Cb 0.20 -1.54 0.07 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.98 1.87 0.03 -1.09 0.00 -0.75 -4.80 118.16 111.44 1f6v n LYS 42 Ca -0.00 -3.34 0.10 0.00 -0.00 0.00 0.00 58.31 55.07 1f6v n LYS 42 Cb 0.46 -1.46 0.42 0.00 -0.00 0.00 0.00 35.03 34.45 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 -0.50 0.05 0.00 -1.58 -0.04 -0.52 0.41 135.00 132.81 1f6v n PRO 43 Ca 0.20 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1f6v n PRO 43 Cb 0.90 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.46 0.27 2.54 0.55 0.00 -1.26 -1.29 105.19 106.46 1f6v n GLY 44 Ca 0.04 0.41 -0.27 0.00 0.00 0.00 0.00 46.02 46.20 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 4.31 5.06 -0.06 4.61 0.00 -1.26 -4.80 120.51 128.36 1f6v n ALA 45 Ca 0.00 -4.37 0.24 0.00 0.00 0.00 0.00 53.44 49.31 1f6v n ALA 45 Cb 0.00 -0.59 0.72 0.00 0.00 0.00 0.00 19.45 19.58 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 2.63 0.00 -0.79 0.00 7.12 -1.48 -0.21 115.31 122.58 1f6v h LEU 46 Ca 0.29 0.00 0.19 0.00 0.13 0.00 0.00 57.88 58.48 1f6v h LEU 46 Cb 0.86 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.86 1f6v h LEU 46 CO 0.86 0.00 0.16 0.03 -0.13 0.00 0.00 178.44 179.36 1f6v h ARG 47 N 0.00 0.21 -0.05 1.25 3.08 -0.50 0.89 114.38 119.26 1f6v h ARG 47 Ca 0.32 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.37 1f6v h ARG 47 Cb 1.37 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 1f6v h ARG 47 CO -0.00 0.14 -0.27 0.97 -1.07 0.00 0.00 179.97 179.74 1f6v h ILE 48 N 0.22 0.00 0.00 2.04 2.10 -0.87 0.26 117.51 121.25 1f6v h ILE 48 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.40 1f6v h ILE 48 Cb 0.85 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1f6v h ILE 48 CO -0.59 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 176.66 1f6v n LEU 49 N -3.97 0.00 0.21 2.19 4.32 -0.90 -2.84 117.00 116.01 1f6v n LEU 49 Ca -0.03 0.21 0.06 0.00 -0.02 0.00 0.00 56.01 56.23 1f6v n LEU 49 Cb 0.19 -0.21 0.45 0.00 -1.62 0.00 0.00 43.42 42.23 1f6v n LEU 49 CO 0.05 -0.04 0.79 -1.13 -1.22 0.00 0.00 177.39 175.84 1f6v h ASN 50 N 0.00 0.00 -1.56 -1.43 -0.00 0.44 0.50 115.58 113.52 1f6v h ASN 50 Ca 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 56.30 56.75 1f6v h ASN 50 Cb 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.43 1f6v h ASN 50 CO 0.00 0.29 1.19 -0.74 -0.00 0.00 0.00 177.43 178.17 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.28 0.16 115.15 117.46 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 0.59 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.55 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 -3.92 0.23 0.12 3.26 7.64 -0.85 -4.62 113.62 115.48 1f6v n SER 52 Ca 0.35 -0.69 0.08 0.00 1.01 0.00 0.00 58.87 59.62 1f6v n SER 52 Cb 1.67 0.15 0.02 0.00 -1.01 0.00 0.00 64.21 65.04 1f6v n SER 52 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1f6v h LEU 53 N 0.00 0.00 -1.78 -3.43 5.85 0.19 -3.18 115.31 112.96 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 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1f6v h LEU 53 CO 0.00 0.17 0.52 -0.09 -0.34 0.00 0.00 178.44 178.70 1f6v h ARG 54 N 0.00 0.00 -0.66 1.25 2.43 -1.51 0.42 114.38 116.31 1f6v h ARG 54 Ca -0.03 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1f6v h ARG 54 Cb 1.16 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1f6v h ARG 54 CO 0.02 0.00 0.43 -0.07 -1.51 0.00 0.00 179.97 178.84 1f6v h LEU 55 N 0.00 0.74 -0.34 3.80 -0.00 -1.82 -2.94 115.31 114.76 1f6v h LEU 55 Ca 0.16 -0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.15 1f6v h LEU 55 Cb 1.20 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.62 1f6v h LEU 55 CO -0.00 0.53 0.14 0.00 -0.00 0.00 0.00 178.44 179.11 1f6v n ALA 56 N -2.28 0.30 -0.07 1.53 0.00 0.15 0.27 120.51 120.40 1f6v n ALA 56 Ca 0.06 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 1f6v n ALA 56 Cb 0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.93 1.29 -1.60 0.00 0.00 -1.12 -3.63 120.51 112.52 1f6v n ALA 57 Ca 0.12 -0.96 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 1f6v n ALA 57 Cb 0.39 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.53 1.79 -0.08 0.00 0.00 0.77 -4.70 119.30 114.55 1f6v s MET 58 Ca -0.24 0.70 0.10 0.00 0.00 0.00 0.00 55.69 56.25 1f6v s MET 58 Cb 0.08 -4.74 0.43 0.00 0.00 0.00 0.00 34.83 30.60 1f6v s MET 58 CO 0.71 -4.07 1.26 -2.37 0.00 0.00 0.00 175.02 170.55 1f6v n THR 59 N 8.51 1.13 -0.06 10.11 5.66 -1.26 -4.28 114.28 134.09 1f6v n THR 59 Ca 0.43 -0.69 -0.06 0.00 -3.05 0.00 0.00 64.05 60.68 1f6v n THR 59 Cb 0.47 -0.08 -0.02 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.53 0.90 -1.16 1.79 0.00 -1.26 -5.04 120.51 116.27 1f6v n ALA 60 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1f6v n ALA 60 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.92 0.00 -2.04 0.00 -0.00 -1.26 -4.68 115.22 103.32 1f6v n HIS 61 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 1f6v n HIS 61 Cb 0.36 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 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 1.05 4.61 0.00 1.57 0.00 -1.26 -3.81 105.19 107.35 1f6v n GLY 62 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 4.90 0.00 0.00 1.61 4.81 -1.26 -5.10 118.16 123.12 1f6v n LYS 63 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1f6v n LYS 63 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 1f6v n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6v n GLY 64 N -0.67 -0.41 2.18 3.14 0.00 -1.25 -5.09 105.19 103.08 1f6v n GLY 64 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.20 -0.43 0.00 1.61 0.28 -1.23 -4.95 120.64 115.72 1f6v n GLU 65 Ca 0.00 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1f6v n GLU 65 Cb 0.00 -0.60 0.00 0.00 1.43 0.00 0.00 31.44 32.27 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 1.40 2.83 -3.75 3.44 3.00 -1.26 -4.98 116.66 117.34 1f6v n ARG 66 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1f6v n ARG 66 Cb 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.54 1f6v n ARG 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1f6v s VAL 67 N 0.00 -0.02 0.00 5.15 1.01 -1.26 -4.63 120.40 120.64 1f6v s VAL 67 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1f6v s VAL 67 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1f6v s VAL 67 CO 0.00 0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.93 1f6v n ASN 68 N 3.63 0.00 -0.29 3.32 5.15 -1.26 -3.70 115.26 122.11 1f6v n ASN 68 Ca -0.19 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 53.80 1f6v n ASN 68 Cb 0.56 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.89 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 -0.02 -0.04 1.20 5.08 -1.84 0.12 114.58 119.08 1f6v h GLU 69 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1f6v h GLU 69 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1f6v h GLU 69 CO 0.00 -0.01 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.32 1f6v h ASP 70 N -0.02 -0.70 -0.38 1.42 5.19 -1.90 -2.62 116.42 117.41 1f6v h ASP 70 Ca 0.38 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.95 1f6v h ASP 70 Cb 0.60 0.30 -0.06 0.00 0.18 0.00 0.00 39.33 40.34 1f6v h ASP 70 CO -0.84 -0.30 -0.14 0.00 -3.12 0.00 0.00 179.24 174.84 1f6v n TYR 71 N -5.36 0.02 -0.05 4.55 9.36 0.03 1.00 117.16 126.71 1f6v n TYR 71 Ca -0.04 0.46 -0.11 0.00 3.32 0.00 0.00 57.90 61.53 1f6v n TYR 71 Cb 0.27 -0.65 -0.06 0.00 -0.63 0.00 0.00 39.34 38.28 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 -1.36 -0.32 2.98 3.38 -1.51 1.09 115.31 119.57 1f6v h LEU 72 Ca 0.14 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1f6v h LEU 72 Cb 0.23 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1f6v h LEU 72 CO -0.38 -0.40 0.15 0.03 0.09 0.00 0.00 178.44 177.94 1f6v h ARG 73 N -0.42 0.46 0.00 1.13 3.08 0.52 0.81 114.38 119.95 1f6v h ARG 73 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1f6v h ARG 73 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1f6v h ARG 73 CO -0.47 0.43 0.00 0.94 -1.07 0.00 0.00 179.97 179.80 1f6v n GLN 74 N -4.76 0.02 -0.07 0.04 -0.06 -0.51 0.77 117.38 112.81 1f6v n GLN 74 Ca -0.01 0.36 -0.06 0.00 -2.00 0.00 0.00 57.00 55.28 1f6v n GLN 74 Cb 0.10 -1.50 -0.02 0.00 -4.06 0.00 0.00 30.24 24.76 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 -1.47 0.49 -0.93 1.69 0.00 0.37 -3.12 120.51 117.55 1f6v n ALA 75 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.86 1f6v n ALA 75 Cb 0.08 -0.03 0.20 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 2.57 0.00 0.00 -1.74 -0.18 -4.44 117.46 109.08 1f6v n PHE 76 Ca -0.09 -1.50 0.00 0.00 -0.56 0.00 0.00 57.45 55.29 1f6v n PHE 76 Cb 0.31 -0.80 0.00 0.00 1.52 0.00 0.00 39.48 40.51 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 -0.68 0.00 0.03 3.97 1.74 0.23 -4.74 116.66 117.21 1f6v n ARG 77 Ca 0.48 0.00 0.22 0.00 -0.77 0.00 0.00 57.85 57.78 1f6v n ARG 77 Cb 1.46 -0.17 0.68 0.00 -1.02 0.00 0.00 32.46 33.41 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1f6v h GLU 78 N 0.00 0.00 0.00 5.56 -0.00 -1.33 -2.98 114.58 115.82 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 -0.02 1.28 -0.00 0.00 0.00 179.01 180.27 1f6v n LEU 79 N -3.59 0.06 0.00 3.06 4.32 -1.26 -5.06 117.00 114.53 1f6v n LEU 79 Ca 0.11 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 1f6v n LEU 79 Cb 0.81 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 1f6v n LEU 79 CO 0.26 -0.50 0.00 -0.90 -1.22 0.00 0.00 177.39 175.03 1f6v n ASP 80 N -2.33 0.00 -0.87 -1.43 5.68 -1.13 -4.96 116.55 111.52 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 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.62 0.00 -2.12 4.77 -1.26 -4.92 117.00 111.85 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 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 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 -0.87 0.00 0.00 -1.43 5.75 -1.26 -5.00 116.55 113.74 1f6v n ASP 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1f6v n ASP 82 Cb 0.40 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1f6v n VAL 83 N -2.30 0.00 -0.31 2.12 0.31 -1.26 -4.72 118.33 112.17 1f6v n VAL 83 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1f6v n VAL 83 Cb 0.00 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.08 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 1.05 0.57 4.52 5.19 -1.93 -0.34 116.42 125.48 1f6v h ASP 84 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 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 0.79 -0.11 -0.38 -3.12 0.00 0.00 179.24 176.42 1f6v n ILE 85 N -4.38 0.00 -1.10 0.35 2.08 -1.26 -4.85 119.36 110.21 1f6v n ILE 85 Ca 0.10 -0.03 -0.15 0.00 0.56 0.00 0.00 62.75 63.24 1f6v n ILE 85 Cb 0.05 -0.23 0.11 0.00 -0.75 0.00 0.00 39.64 38.82 1f6v n ILE 85 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1f6v n SER 86 N -1.22 -0.80 -0.52 4.38 3.41 -0.14 -4.88 113.62 113.86 1f6v n SER 86 Ca 0.12 -1.02 0.11 0.00 -0.26 0.00 0.00 58.87 57.81 1f6v n SER 86 Cb 0.29 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.32 0.00 -4.09 6.66 -2.24 -1.26 -4.92 114.28 105.10 1f6v n THR 87 Ca 0.08 -0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 61.29 1f6v n THR 87 Cb 0.29 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.38 3.69 0.00 3.22 1.43 -1.26 -4.95 118.68 118.43 1f6v s LEU 88 Ca 0.18 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1f6v s LEU 88 Cb 0.18 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1f6v s LEU 88 CO 0.53 0.12 0.00 0.00 0.23 0.00 0.00 176.35 177.23 1f6v n LEU 89 N 0.08 0.00 0.00 1.79 -0.00 -1.26 -4.74 117.00 112.87 1f6v n LEU 89 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1f6v n LEU 89 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1f6v n LEU 89 CO 0.42 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.67 1f6v n ARG 90 N -1.00 0.00 0.00 1.47 0.63 -1.26 -5.15 116.66 111.35 1f6v n ARG 90 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1f6v n ARG 90 Cb 0.00 0.00 0.60 0.00 0.45 0.00 0.00 32.46 33.51 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39