#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6v s SER 2 N 0.00 4.26 -0.77 1.61 0.15 -1.26 -4.93 113.70 112.77 1f6v s SER 2 Ca 0.00 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.19 1f6v s SER 2 Cb 0.00 -1.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.26 1f6v s SER 2 CO 0.00 -2.03 2.91 0.54 1.20 0.00 0.00 173.24 175.86 1f6v n ARG 3 N -3.34 3.10 -4.33 5.44 1.74 -1.26 -4.90 116.66 113.10 1f6v n ARG 3 Ca 0.10 -2.29 -0.34 0.00 -0.77 0.00 0.00 57.85 54.55 1f6v n ARG 3 Cb 0.61 -2.35 -0.11 0.00 -1.02 0.00 0.00 32.46 29.59 1f6v n ARG 3 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1f6v s ILE 4 N -0.45 4.20 -0.10 0.55 -5.25 -1.26 -4.99 121.20 113.90 1f6v s ILE 4 Ca 0.61 -0.26 0.03 0.00 -0.99 0.00 0.00 60.65 60.04 1f6v s ILE 4 Cb 0.28 -2.82 -0.24 0.00 2.95 0.00 0.00 42.46 42.63 1f6v s ILE 4 CO -0.11 0.53 0.44 0.00 -1.79 0.00 0.00 174.94 174.02 1f6v n ALA 5 N 2.95 1.20 -1.36 2.27 0.00 -1.26 -4.93 120.51 119.38 1f6v n ALA 5 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1f6v n ALA 5 Cb 0.53 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1f6v n ALA 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1f6v n LYS 6 N -3.25 0.48 0.00 0.00 5.02 -1.26 -5.10 118.16 114.05 1f6v n LYS 6 Ca -0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1f6v n LYS 6 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.06 1f6v n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1f6v n ARG 7 N -0.77 3.40 0.00 1.97 3.00 -1.26 -5.09 116.66 117.91 1f6v n ARG 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1f6v n ARG 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1f6v n ARG 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1f6v n THR 8 N 0.00 0.00 -1.02 5.15 -1.04 -1.26 -5.06 114.28 111.05 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 0.00 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 -1.57 0.00 -0.71 2.41 0.00 -1.24 -5.01 120.51 114.38 1f6v n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1f6v n ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.40 0.00 -0.18 0.00 5.41 0.11 -4.70 119.36 118.60 1f6v n ILE 10 Ca 0.00 0.14 0.02 0.00 1.00 0.00 0.00 62.75 63.92 1f6v n ILE 10 Cb 0.00 -0.82 -0.01 0.00 -0.71 0.00 0.00 39.64 38.10 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 -1.40 -1.06 -4.53 4.38 4.05 0.15 -4.51 115.26 112.35 1f6v n ASN 11 Ca 0.00 0.11 -0.25 0.00 0.45 0.00 0.00 54.58 54.89 1f6v n ASN 11 Cb 0.00 -0.56 -0.13 0.00 1.23 0.00 0.00 39.78 40.32 1f6v n ASN 11 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1f6v n LYS 12 N -2.22 0.35 -1.20 1.20 2.85 -1.26 -4.81 118.16 113.07 1f6v n LYS 12 Ca -0.00 -0.27 -0.38 0.00 -1.05 0.00 0.00 58.31 56.61 1f6v n LYS 12 Cb 0.08 -2.35 0.03 0.00 -0.65 0.00 0.00 35.03 32.14 1f6v n LYS 12 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1f6v n THR 13 N 7.32 0.44 -0.24 0.58 -2.24 -1.26 -4.07 114.28 114.81 1f6v n THR 13 Ca 0.56 -0.48 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 1f6v n THR 13 Cb 0.28 -0.17 0.13 0.00 -2.10 0.00 0.00 70.33 68.47 1f6v n THR 13 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1f6v h LYS 14 N -0.30 0.09 -0.64 -0.78 1.57 -1.93 0.96 116.57 115.54 1f6v h LYS 14 Ca -0.43 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 1f6v h LYS 14 Cb 1.39 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 1f6v h LYS 14 CO 0.38 0.06 0.21 -0.22 -0.57 0.00 0.00 179.45 179.30 1f6v h LYS 15 N 0.09 0.97 -0.87 3.15 3.11 -1.99 -0.80 116.57 120.22 1f6v h LYS 15 Ca 0.37 -0.19 -0.16 0.00 -2.81 0.00 0.00 60.65 57.87 1f6v h LYS 15 Cb 0.63 -0.15 -0.10 0.00 -1.00 0.00 0.00 32.23 31.61 1f6v h LYS 15 CO -0.63 0.83 0.20 0.00 -2.81 0.00 0.00 179.45 177.04 1f6v n ALA 16 N -2.45 3.88 0.13 5.00 0.00 0.24 -4.13 120.51 123.18 1f6v n ALA 16 Ca 0.05 -1.47 -0.23 0.00 0.00 0.00 0.00 53.44 51.79 1f6v n ALA 16 Cb 0.21 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 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 1.52 0.80 1.14 0.00 3.58 0.21 -0.70 116.42 122.98 1f6v h ASP 17 Ca 0.20 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.82 1f6v h ASP 17 Cb 1.78 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1f6v h ASP 17 CO 0.49 1.64 -0.35 0.52 -2.88 0.00 0.00 179.24 178.66 1f6v n VAL 18 N -3.71 0.47 -0.03 2.25 0.31 -1.26 -2.65 118.33 113.72 1f6v n VAL 18 Ca -0.15 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1f6v n VAL 18 Cb 1.07 -0.33 -0.14 0.00 -0.91 0.00 0.00 33.84 33.52 1f6v n VAL 18 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1f6v n LYS 19 N -2.19 0.66 0.13 5.55 -0.00 -1.22 -3.49 118.16 117.60 1f6v n LYS 19 Ca 0.04 0.26 0.01 0.00 -0.00 0.00 0.00 58.31 58.62 1f6v n LYS 19 Cb 0.44 -1.74 0.09 0.00 -0.00 0.00 0.00 35.03 33.81 1f6v n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f6v h ALA 20 N 0.79 0.71 0.00 0.58 0.00 -1.18 -1.61 119.26 118.55 1f6v h ALA 20 Ca -0.35 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 53.87 1f6v h ALA 20 Cb 2.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 1f6v h ALA 20 CO 0.07 0.75 -0.69 0.82 0.00 0.00 0.00 179.25 180.21 1f6v h ILE 21 N 0.00 1.46 0.12 0.00 5.03 -1.63 0.21 117.51 122.70 1f6v h ILE 21 Ca -0.01 -2.37 -0.33 0.00 -0.12 0.00 0.00 64.86 62.03 1f6v h ILE 21 Cb 1.31 2.29 -0.01 0.00 -3.03 0.00 0.00 36.82 37.38 1f6v h ILE 21 CO 0.08 0.67 -1.73 0.00 -0.68 0.00 0.00 178.15 176.49 1f6v h ALA 22 N 1.31 0.36 0.00 1.87 0.00 -1.57 -3.36 119.26 117.87 1f6v h ALA 22 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1f6v h ALA 22 Cb 1.24 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1f6v h ALA 22 CO 0.09 1.22 -0.77 -3.47 0.00 0.00 0.00 179.25 176.32 1f6v n ASP 23 N -3.43 0.68 -4.86 0.00 -0.08 -0.62 -4.64 116.55 103.59 1f6v n ASP 23 Ca -0.22 -0.46 -0.22 0.00 -1.51 0.00 0.00 54.79 52.38 1f6v n ASP 23 Cb 1.05 0.60 0.07 0.00 2.34 0.00 0.00 41.12 45.18 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 -3.05 3.96 0.00 -1.67 0.00 0.73 -2.48 121.76 119.25 1f6v s ALA 24 Ca 0.08 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1f6v s ALA 24 Cb 0.16 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1f6v s ALA 24 CO 0.77 -1.03 0.00 0.91 0.00 0.00 0.00 175.76 176.42 1f6v n TRP 25 N -2.50 -0.94 -1.93 0.00 8.01 -1.26 -3.86 117.44 114.95 1f6v n TRP 25 Ca 0.12 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.92 1f6v n TRP 25 Cb 0.60 0.19 -0.03 0.00 -2.01 0.00 0.00 31.31 30.06 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 -0.02 2.34 -0.04 -0.99 -0.06 -1.25 -4.53 117.38 112.84 1f6v n GLN 26 Ca 0.00 -2.60 -0.01 0.00 -2.00 0.00 0.00 57.00 52.39 1f6v n GLN 26 Cb 0.00 -3.38 -0.14 0.00 -4.06 0.00 0.00 30.24 22.66 1f6v n GLN 26 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1f6v n ILE 27 N 6.35 0.92 0.00 1.69 -0.00 -1.25 -4.70 119.36 122.37 1f6v n ILE 27 Ca 0.49 -0.71 0.00 0.00 -0.00 0.00 0.00 62.75 62.53 1f6v n ILE 27 Cb 0.43 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 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 -2.64 0.00 0.00 7.28 5.15 -1.26 -4.17 115.26 119.62 1f6v n ASN 28 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1f6v n ASN 28 Cb 0.90 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.15 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 -0.84 2.98 0.02 8.20 0.00 -1.26 -4.79 105.19 109.50 1f6v n GLY 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.57 2.36 -0.00 1.61 2.13 -1.26 -4.39 120.64 119.51 1f6v n GLU 30 Ca 0.00 -0.02 -0.18 0.00 0.66 0.00 0.00 57.16 57.62 1f6v n GLU 30 Cb 0.00 -1.14 -0.14 0.00 0.27 0.00 0.00 31.44 30.43 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 -2.08 0.73 0.00 5.31 4.01 -1.26 -3.89 118.16 120.97 1f6v n LYS 31 Ca -0.07 0.27 0.10 0.00 -0.51 0.00 0.00 58.31 58.10 1f6v n LYS 31 Cb 0.55 -1.72 0.47 0.00 -0.51 0.00 0.00 35.03 33.81 1f6v n LYS 31 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1f6v n GLU 32 N -3.36 0.04 0.09 1.97 0.00 -1.04 -2.49 120.64 115.85 1f6v n GLU 32 Ca -0.28 0.13 -0.14 0.00 0.00 0.00 0.00 57.16 56.87 1f6v n GLU 32 Cb 1.05 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.85 1f6v n GLU 32 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1f6v h LEU 33 N 0.00 0.31 0.47 -1.84 8.10 -1.77 -3.19 115.31 117.40 1f6v h LEU 33 Ca 0.00 -0.34 -0.02 0.00 0.11 0.00 0.00 57.88 57.62 1f6v h LEU 33 Cb 0.35 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1f6v h LEU 33 CO 0.00 1.27 -0.23 -0.08 -4.11 0.00 0.00 178.44 175.29 1f6v h GLU 34 N 0.05 -0.61 -0.30 0.17 4.81 -1.61 0.26 114.58 117.35 1f6v h GLU 34 Ca -0.11 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1f6v h GLU 34 Cb 1.93 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 31.36 1f6v h GLU 34 CO 0.18 -0.30 -0.39 1.25 -0.73 0.00 0.00 179.01 179.02 1f6v h LEU 35 N -0.95 -1.26 -1.99 1.64 7.12 -1.68 0.52 115.31 118.71 1f6v h LEU 35 Ca -0.06 0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 1f6v h LEU 35 Cb 0.59 0.55 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1f6v h LEU 35 CO 0.11 -0.37 -0.10 0.25 -0.13 0.00 0.00 178.44 178.19 1f6v h LEU 36 N -0.36 0.00 -1.59 2.25 7.12 -1.58 0.45 115.31 121.60 1f6v h LEU 36 Ca 0.12 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1f6v h LEU 36 Cb 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1f6v h LEU 36 CO -0.49 0.10 0.26 -0.61 -0.13 0.00 0.00 178.44 177.57 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.37 -1.60 115.11 119.27 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 0.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1f6v h GLN 37 CO 0.01 0.00 -0.31 1.04 -1.93 0.00 0.00 178.83 177.64 1f6v n GLN 38 N -2.53 0.00 -0.00 1.69 6.02 -0.47 -4.90 117.38 117.19 1f6v n GLN 38 Ca -0.02 -0.73 -0.00 0.00 -0.01 0.00 0.00 57.00 56.24 1f6v n GLN 38 Cb 0.30 -0.41 -0.00 0.00 1.02 0.00 0.00 30.24 31.14 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 0.02 1.18 5.09 2.08 0.03 -4.33 119.36 123.43 1f6v n ILE 39 Ca 0.00 -0.02 0.14 0.00 0.56 0.00 0.00 62.75 63.44 1f6v n ILE 39 Cb 0.63 -0.67 0.67 0.00 -0.75 0.00 0.00 39.64 39.52 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 -1.91 2.42 0.51 -1.39 0.00 -1.16 -1.24 120.51 117.75 1f6v n ALA 40 Ca -0.01 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1f6v n ALA 40 Cb 0.40 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.41 0.97 -2.04 0.00 6.02 -1.26 -4.49 117.38 115.17 1f6v n GLN 41 Ca 0.10 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1f6v n GLN 41 Cb 0.30 -1.36 0.05 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.68 1.11 0.00 -1.09 -0.00 -1.12 -4.99 118.16 110.38 1f6v n LYS 42 Ca 0.01 -2.89 0.00 0.00 -0.00 0.00 0.00 58.31 55.43 1f6v n LYS 42 Cb 0.35 -0.96 0.00 0.00 -0.00 0.00 0.00 35.03 34.41 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 -0.17 0.00 -1.20 -1.58 -0.04 -0.37 0.32 135.00 131.96 1f6v n PRO 43 Ca 0.10 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1f6v n PRO 43 Cb 0.96 -0.17 -0.03 0.00 -0.04 0.00 0.00 33.50 34.21 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 1.93 0.87 0.00 0.55 0.00 -1.26 -1.57 105.19 105.71 1f6v n GLY 44 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.13 0.40 -0.44 4.61 0.00 -1.26 -4.07 120.51 120.88 1f6v n ALA 45 Ca -0.07 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.73 1f6v n ALA 45 Cb 0.33 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.44 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 0.22 -0.22 0.00 7.12 -1.90 0.12 115.31 120.66 1f6v h LEU 46 Ca 0.00 0.10 0.06 0.00 0.13 0.00 0.00 57.88 58.16 1f6v h LEU 46 Cb 0.00 0.08 -0.07 0.00 -0.53 0.00 0.00 40.66 40.14 1f6v h LEU 46 CO 0.00 -0.09 -0.28 0.03 -0.13 0.00 0.00 178.44 177.96 1f6v h ARG 47 N 0.12 -0.30 0.15 1.25 2.47 -1.78 2.08 114.38 118.37 1f6v h ARG 47 Ca 0.77 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.51 1f6v h ARG 47 Cb 2.51 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 30.88 1f6v h ARG 47 CO -0.30 -0.20 -0.27 0.82 0.56 0.00 0.00 179.97 180.58 1f6v h ILE 48 N -0.31 0.00 0.00 2.04 2.04 -0.54 0.96 117.51 121.70 1f6v h ILE 48 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1f6v h ILE 48 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1f6v h ILE 48 CO -0.39 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.94 1f6v n LEU 49 N -3.98 0.00 0.21 1.44 4.32 -1.11 -2.35 117.00 115.53 1f6v n LEU 49 Ca -0.05 0.24 0.05 0.00 -0.02 0.00 0.00 56.01 56.22 1f6v n LEU 49 Cb 0.23 -0.24 0.46 0.00 -1.62 0.00 0.00 43.42 42.25 1f6v n LEU 49 CO 0.11 -0.12 0.83 -1.13 -1.22 0.00 0.00 177.39 175.85 1f6v h ASN 50 N 0.00 0.00 -1.67 -1.43 -0.00 0.60 0.56 115.58 113.64 1f6v h ASN 50 Ca 0.00 0.00 0.49 0.00 -0.00 0.00 0.00 56.30 56.79 1f6v h ASN 50 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.37 1f6v h ASN 50 CO 0.00 0.26 1.27 -0.74 -0.00 0.00 0.00 177.43 178.22 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.37 0.81 115.15 118.02 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 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 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 -3.89 0.22 0.04 3.26 7.64 -0.79 -4.58 113.62 115.52 1f6v n SER 52 Ca 0.37 -0.69 0.12 0.00 1.01 0.00 0.00 58.87 59.69 1f6v n SER 52 Cb 1.78 0.13 0.28 0.00 -1.01 0.00 0.00 64.21 65.39 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 0.57 0.29 -3.43 7.94 0.19 -3.23 117.00 119.21 1f6v n LEU 53 Ca 0.00 0.26 0.19 0.00 -1.11 0.00 0.00 56.01 55.34 1f6v n LEU 53 Cb 0.10 -0.26 0.99 0.00 0.53 0.00 0.00 43.42 44.78 1f6v n LEU 53 CO 0.00 -0.02 1.16 -0.09 -1.11 0.00 0.00 177.39 177.33 1f6v h ARG 54 N 0.00 0.00 -0.72 1.96 2.43 -1.46 0.25 114.38 116.83 1f6v h ARG 54 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f6v h ARG 54 Cb 0.65 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1f6v h ARG 54 CO 0.00 0.00 0.44 -0.07 -1.51 0.00 0.00 179.97 178.83 1f6v h LEU 55 N 0.00 0.86 -0.75 3.80 -0.00 -1.82 -2.55 115.31 114.85 1f6v h LEU 55 Ca 0.03 -0.04 0.26 0.00 -0.00 0.00 0.00 57.88 58.12 1f6v h LEU 55 Cb 0.26 -0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 40.63 1f6v h LEU 55 CO -0.00 0.66 0.47 0.00 -0.00 0.00 0.00 178.44 179.57 1f6v n ALA 56 N -2.43 0.74 -0.05 1.53 0.00 0.87 0.21 120.51 121.38 1f6v n ALA 56 Ca 0.08 0.49 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 1f6v n ALA 56 Cb 0.06 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 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 1.78 -1.60 0.00 0.00 -1.00 -3.77 120.51 113.35 1f6v n ALA 57 Ca 0.22 -0.76 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 1f6v n ALA 57 Cb 0.86 -0.06 -0.08 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 -2.37 1.54 -0.16 0.00 0.00 0.56 -4.67 119.30 114.21 1f6v s MET 58 Ca -0.06 0.24 0.11 0.00 0.00 0.00 0.00 55.69 55.99 1f6v s MET 58 Cb 0.04 -4.84 0.62 0.00 0.00 0.00 0.00 34.83 30.65 1f6v s MET 58 CO 0.51 -4.66 1.45 -2.37 0.00 0.00 0.00 175.02 169.95 1f6v n THR 59 N 8.82 1.96 -0.03 10.11 5.66 -1.26 -3.82 114.28 135.72 1f6v n THR 59 Ca 0.45 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1f6v n THR 59 Cb 0.44 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 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 0.56 2.04 -1.95 1.79 0.00 -1.26 -4.93 120.51 116.75 1f6v n ALA 60 Ca 0.21 -0.91 -0.24 0.00 0.00 0.00 0.00 53.44 52.50 1f6v n ALA 60 Cb 0.92 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 1f6v n ALA 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1f6v s HIS 61 N -0.82 1.72 -0.16 0.00 5.04 -1.25 -4.76 115.29 115.06 1f6v s HIS 61 Ca 0.00 0.91 -0.01 0.00 -1.54 0.00 0.00 55.06 54.42 1f6v s HIS 61 Cb 0.00 -3.88 0.05 0.00 0.04 0.00 0.00 32.58 28.79 1f6v s HIS 61 CO 0.00 -1.40 2.28 0.41 -2.34 0.00 0.00 174.74 173.69 1f6v n GLY 62 N 6.38 3.31 0.00 1.59 0.00 -1.26 -3.65 105.19 111.55 1f6v n GLY 62 Ca 0.43 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.16 2.18 0.00 1.61 0.00 -1.26 -5.03 118.16 116.81 1f6v n LYS 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.52 1f6v n LYS 63 Cb 0.59 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.66 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 2.55 -0.50 3.65 3.14 0.00 -1.24 -5.11 105.19 107.69 1f6v n GLY 64 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 46.02 46.83 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 0.24 0.00 1.61 -1.05 -1.26 -4.41 118.70 113.83 1f6v s GLU 65 Ca 0.00 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1f6v s GLU 65 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 1f6v s GLU 65 CO 0.00 -0.05 0.00 -2.13 0.95 0.00 0.00 175.26 174.03 1f6v n ARG 66 N 3.16 1.97 -2.71 -4.83 0.00 -1.26 -4.97 116.66 108.02 1f6v n ARG 66 Ca -0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.62 1f6v n ARG 66 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 32.46 33.07 1f6v n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1f6v n VAL 67 N -0.04 0.96 -3.55 5.15 0.31 -1.26 -4.62 118.33 115.27 1f6v n VAL 67 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 64.34 61.51 1f6v n VAL 67 Cb 0.00 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 33.82 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1f6v n ASN 68 N -0.31 0.00 -0.52 4.52 4.13 -1.26 -4.89 115.26 116.93 1f6v n ASN 68 Ca 0.07 -0.92 0.44 0.00 1.68 0.00 0.00 54.58 55.85 1f6v n ASN 68 Cb 0.82 0.00 0.77 0.00 -1.54 0.00 0.00 39.78 39.83 1f6v n ASN 68 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1f6v h GLU 69 N 0.00 0.02 -0.05 3.52 4.81 -1.84 0.93 114.58 121.97 1f6v h GLU 69 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1f6v h GLU 69 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1f6v h GLU 69 CO 0.00 0.01 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.80 1f6v h ASP 70 N 0.02 0.12 -0.48 1.04 3.32 -1.93 -3.22 116.42 115.29 1f6v h ASP 70 Ca 0.77 -0.50 0.09 0.00 0.02 0.00 0.00 57.03 57.42 1f6v h ASP 70 Cb 3.01 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 42.43 1f6v h ASP 70 CO -0.06 0.60 -0.13 0.00 -1.72 0.00 0.00 179.24 177.93 1f6v n TYR 71 N -4.75 0.15 0.13 4.55 9.36 0.32 0.11 117.16 127.03 1f6v n TYR 71 Ca -0.08 0.59 -0.13 0.00 3.32 0.00 0.00 57.90 61.60 1f6v n TYR 71 Cb 0.29 -0.76 -0.06 0.00 -0.63 0.00 0.00 39.34 38.18 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 -0.71 -0.60 2.98 3.38 -1.59 1.20 115.31 119.98 1f6v h LEU 72 Ca 0.22 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1f6v h LEU 72 Cb 0.34 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1f6v h LEU 72 CO -0.49 -0.35 0.00 -1.14 0.09 0.00 0.00 178.44 176.54 1f6v n ARG 73 N -5.37 0.17 0.00 1.13 0.63 0.29 -1.15 116.66 112.35 1f6v n ARG 73 Ca -0.07 0.40 0.11 0.00 -0.92 0.00 0.00 57.85 57.37 1f6v n ARG 73 Cb 0.28 -1.82 0.08 0.00 0.45 0.00 0.00 32.46 31.45 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f6v n GLN 74 N -2.15 0.99 -0.11 -0.14 -0.06 0.29 -2.75 117.38 113.45 1f6v n GLN 74 Ca 0.02 -0.77 -0.20 0.00 -2.00 0.00 0.00 57.00 54.05 1f6v n GLN 74 Cb 0.23 -1.48 -0.08 0.00 -4.06 0.00 0.00 30.24 24.84 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 -0.33 0.92 -0.92 1.69 0.00 0.39 -3.40 120.51 118.86 1f6v n ALA 75 Ca 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1f6v n ALA 75 Cb 0.43 -0.09 0.22 0.00 0.00 0.00 0.00 19.45 20.01 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 -4.39 2.52 0.00 0.00 -1.74 -0.60 -4.52 117.46 108.73 1f6v n PHE 76 Ca -0.34 -1.40 0.00 0.00 -0.56 0.00 0.00 57.45 55.14 1f6v n PHE 76 Cb 0.68 -0.76 0.00 0.00 1.52 0.00 0.00 39.48 40.91 1f6v n PHE 76 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1f6v n ARG 77 N -0.53 0.00 -0.04 3.97 0.63 -1.17 -4.75 116.66 114.78 1f6v n ARG 77 Ca 0.46 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.60 1f6v n ARG 77 Cb 1.43 -0.01 0.48 0.00 0.45 0.00 0.00 32.46 34.80 1f6v n ARG 77 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1f6v h GLU 78 N 0.00 0.00 0.00 -0.14 -0.00 -1.53 -2.68 114.58 110.23 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 -0.01 1.28 -0.00 0.00 0.00 179.01 180.28 1f6v n LEU 79 N -3.23 0.02 0.00 3.06 4.32 -1.26 -5.07 117.00 114.84 1f6v n LEU 79 Ca 0.15 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1f6v n LEU 79 Cb 1.17 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1f6v n LEU 79 CO 0.21 -0.50 0.00 -0.90 -1.22 0.00 0.00 177.39 174.98 1f6v n ASP 80 N -2.36 0.00 -0.53 -1.43 5.68 -1.01 -4.97 116.55 111.92 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 -1.65 0.00 -2.12 4.77 -1.26 -4.92 117.00 111.81 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 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 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 0.66 0.00 0.00 -1.43 5.68 -1.26 -4.96 116.55 115.23 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 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.14 0.00 -0.08 2.12 0.24 -1.26 -4.87 118.33 114.34 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 0.24 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 0.66 -0.09 -1.34 5.19 -1.94 -1.04 116.42 117.86 1f6v h ASP 84 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1f6v h ASP 84 Cb 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1f6v h ASP 84 CO 0.00 0.66 0.00 2.30 -3.12 0.00 0.00 179.24 179.08 1f6v n ILE 85 N -4.29 0.11 -1.17 0.35 -0.00 -1.26 -4.89 119.36 108.20 1f6v n ILE 85 Ca 0.03 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.43 1f6v n ILE 85 Cb 0.22 0.61 0.00 0.00 -0.00 0.00 0.00 39.64 40.47 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 0.46 0.00 -1.66 7.28 2.88 -0.39 -4.85 113.62 117.34 1f6v n SER 86 Ca 0.17 -0.86 0.09 0.00 -1.33 0.00 0.00 58.87 56.94 1f6v n SER 86 Cb 0.39 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.59 2.11 -3.86 2.46 -1.04 -1.26 -4.80 114.28 106.29 1f6v n THR 87 Ca 0.00 -1.28 -0.35 0.00 -2.04 0.00 0.00 64.05 60.39 1f6v n THR 87 Cb 0.00 0.01 -0.13 0.00 -1.82 0.00 0.00 70.33 68.39 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 -2.12 4.78 0.21 -4.42 1.43 -1.26 -4.86 118.68 112.44 1f6v s LEU 88 Ca 0.52 -1.84 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1f6v s LEU 88 Cb 0.35 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1f6v s LEU 88 CO 0.22 -0.43 0.00 0.18 0.23 0.00 0.00 176.35 176.55 1f6v n LEU 89 N 4.54 -0.13 0.00 1.79 4.32 -1.26 -4.70 117.00 121.56 1f6v n LEU 89 Ca -0.04 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 1f6v n LEU 89 Cb 0.42 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.52 1f6v n LEU 89 CO 0.29 -0.71 0.00 -1.14 -1.22 0.00 0.00 177.39 174.61 1f6v n ARG 90 N -3.21 2.69 0.00 3.23 3.00 -1.26 -5.19 116.66 115.92 1f6v n ARG 90 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1f6v n ARG 90 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 32.46 32.76 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90