#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 2.49 -3.75 1.61 7.64 -1.26 -5.03 113.62 115.32 1f6v n SER 2 Ca 0.00 -3.26 -0.42 0.00 1.01 0.00 0.00 58.87 56.20 1f6v n SER 2 Cb 0.00 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1f6v n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f6v n ARG 3 N -1.15 3.42 -0.04 1.43 1.74 -1.26 -4.53 116.66 116.28 1f6v n ARG 3 Ca -0.15 -3.11 0.12 0.00 -0.77 0.00 0.00 57.85 53.94 1f6v n ARG 3 Cb 0.65 -3.03 0.12 0.00 -1.02 0.00 0.00 32.46 29.18 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 3.86 0.11 -3.46 0.55 -0.00 -1.26 -4.92 119.36 114.23 1f6v n ILE 4 Ca 0.48 -0.56 -0.38 0.00 -0.00 0.00 0.00 62.75 62.29 1f6v n ILE 4 Cb 0.36 1.38 -0.06 0.00 -0.00 0.00 0.00 39.64 41.31 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 -1.85 3.66 -0.81 -1.28 0.00 -1.26 -4.96 121.76 115.25 1f6v s ALA 5 Ca 0.30 -0.21 0.21 0.00 0.00 0.00 0.00 51.96 52.25 1f6v s ALA 5 Cb 0.20 -2.44 -0.25 0.00 0.00 0.00 0.00 23.12 20.64 1f6v s ALA 5 CO 0.30 0.39 0.81 1.17 0.00 0.00 0.00 175.76 178.43 1f6v n LYS 6 N 2.16 0.20 0.17 0.00 4.81 -1.26 -4.15 118.16 120.10 1f6v n LYS 6 Ca -0.13 -0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.37 1f6v n LYS 6 Cb 0.52 -1.49 0.10 0.00 0.02 0.00 0.00 35.03 34.18 1f6v n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1f6v h ARG 7 N 0.00 0.00 0.00 1.64 -0.00 -1.93 -3.48 114.38 110.61 1f6v h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1f6v h ARG 7 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.55 1f6v h ARG 7 CO 0.00 0.12 0.00 2.41 0.00 0.00 0.00 179.97 182.50 1f6v n THR 8 N -3.04 0.00 -1.41 2.04 -1.04 -1.26 -4.22 114.28 105.35 1f6v n THR 8 Ca 0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.73 1f6v n THR 8 Cb 0.59 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 69.32 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6v s ALA 9 N -1.00 1.23 -0.74 2.41 0.00 -1.26 -4.97 121.76 117.43 1f6v s ALA 9 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1f6v s ALA 9 Cb 0.00 -2.84 0.36 0.00 0.00 0.00 0.00 23.12 20.64 1f6v s ALA 9 CO 0.00 -3.16 1.56 -0.89 0.00 0.00 0.00 175.76 173.27 1f6v n ILE 10 N -4.39 3.77 -0.29 0.00 5.41 -1.09 -4.55 119.36 118.21 1f6v n ILE 10 Ca 0.14 -5.07 -0.13 0.00 1.00 0.00 0.00 62.75 58.69 1f6v n ILE 10 Cb 0.59 -1.35 0.13 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.37 -2.71 -4.52 4.38 5.15 -1.06 -4.31 115.26 111.83 1f6v n ASN 11 Ca 0.45 -0.38 -0.27 0.00 -0.60 0.00 0.00 54.58 53.78 1f6v n ASN 11 Cb 0.38 -0.56 -0.16 0.00 -0.53 0.00 0.00 39.78 38.90 1f6v n ASN 11 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1f6v n LYS 12 N -2.05 0.20 -1.11 1.20 2.85 -1.26 -4.78 118.16 113.20 1f6v n LYS 12 Ca 0.06 -0.14 -0.37 0.00 -1.05 0.00 0.00 58.31 56.81 1f6v n LYS 12 Cb 0.26 -1.84 0.04 0.00 -0.65 0.00 0.00 35.03 32.84 1f6v n LYS 12 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1f6v n THR 13 N 6.87 0.23 -0.33 0.58 5.66 -1.26 -3.77 114.28 122.25 1f6v n THR 13 Ca 0.61 -0.47 0.21 0.00 -3.05 0.00 0.00 64.05 61.35 1f6v n THR 13 Cb 0.20 -0.13 0.43 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.59 0.36 -0.48 1.09 1.57 -1.98 1.17 116.57 117.71 1f6v h LYS 14 Ca -0.43 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1f6v h LYS 14 Cb 1.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1f6v h LYS 14 CO 0.33 0.23 0.20 -0.22 -0.57 0.00 0.00 179.45 179.42 1f6v h LYS 15 N 0.37 0.72 -0.67 3.15 3.64 -1.98 -1.25 116.57 120.54 1f6v h LYS 15 Ca 0.69 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1f6v h LYS 15 Cb 1.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1f6v h LYS 15 CO -0.58 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.24 1f6v n ALA 16 N -2.33 3.02 -0.03 5.00 0.00 0.31 -4.11 120.51 122.38 1f6v n ALA 16 Ca 0.01 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.36 1f6v n ALA 16 Cb 0.15 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 1f6v n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1f6v h ASP 17 N 2.18 0.94 0.52 0.00 1.82 0.22 0.71 116.42 122.81 1f6v h ASP 17 Ca 0.00 -0.60 -0.27 0.00 -0.39 0.00 0.00 57.03 55.77 1f6v h ASP 17 Cb 1.08 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.76 1f6v h ASP 17 CO 0.19 1.40 -1.67 0.52 -1.61 0.00 0.00 179.24 178.07 1f6v n VAL 18 N -3.94 1.53 0.17 2.25 0.31 -1.26 -3.70 118.33 113.69 1f6v n VAL 18 Ca -0.07 -0.78 0.09 0.00 -0.01 0.00 0.00 64.34 63.57 1f6v n VAL 18 Cb 0.73 -0.98 0.10 0.00 -0.91 0.00 0.00 33.84 32.78 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 0.00 5.55 5.09 -1.75 -3.00 116.57 122.46 1f6v h LYS 19 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.47 1f6v h LYS 19 Cb 1.94 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.27 1f6v h LYS 19 CO 0.07 0.15 0.00 0.00 -2.09 0.00 0.00 179.45 177.58 1f6v n ALA 20 N -2.16 2.13 0.04 0.07 0.00 0.24 -1.40 120.51 119.43 1f6v n ALA 20 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1f6v n ALA 20 Cb 0.60 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 1f6v n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1f6v h ILE 21 N 0.00 0.53 0.00 0.00 1.08 -1.60 -2.10 117.51 115.41 1f6v h ILE 21 Ca 0.00 -2.02 -0.32 0.00 -0.39 0.00 0.00 64.86 62.13 1f6v h ILE 21 Cb 0.63 2.06 -0.06 0.00 -3.07 0.00 0.00 36.82 36.38 1f6v h ILE 21 CO 0.00 0.30 -1.99 0.00 -0.69 0.00 0.00 178.15 175.77 1f6v n ALA 22 N -2.39 1.50 0.28 1.87 0.00 -1.15 -4.23 120.51 116.39 1f6v n ALA 22 Ca -0.09 -1.00 0.11 0.00 0.00 0.00 0.00 53.44 52.46 1f6v n ALA 22 Cb 0.84 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.92 0.56 -4.71 0.00 -0.08 -0.49 -4.61 116.55 104.29 1f6v n ASP 23 Ca -0.23 0.03 -0.23 0.00 -1.51 0.00 0.00 54.79 52.84 1f6v n ASP 23 Cb 1.10 0.94 0.11 0.00 2.34 0.00 0.00 41.12 45.61 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 -3.33 3.86 0.00 -1.67 0.00 -0.79 -2.65 121.76 117.18 1f6v s ALA 24 Ca -0.00 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1f6v s ALA 24 Cb 0.13 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1f6v s ALA 24 CO 0.82 -1.41 0.00 0.91 0.00 0.00 0.00 175.76 176.08 1f6v n TRP 25 N -2.77 0.00 -2.76 0.00 8.01 -1.26 -3.77 117.44 114.90 1f6v n TRP 25 Ca 0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.91 1f6v n TRP 25 Cb 0.61 0.06 0.00 0.00 -2.01 0.00 0.00 31.31 29.98 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 2.96 3.84 -0.01 -0.99 -0.06 -1.25 -4.59 117.38 117.28 1f6v n GLN 26 Ca 0.00 -4.00 0.09 0.00 -2.00 0.00 0.00 57.00 51.09 1f6v n GLN 26 Cb 0.00 -2.77 -0.14 0.00 -4.06 0.00 0.00 30.24 23.26 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 2.85 0.00 0.00 1.69 0.00 -1.25 -4.71 119.36 117.94 1f6v n ILE 27 Ca 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 62.75 62.68 1f6v n ILE 27 Cb 0.37 0.14 0.00 0.00 0.00 0.00 0.00 39.64 40.14 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 -2.10 0.00 0.00 9.51 5.15 -1.26 -4.28 115.26 122.27 1f6v n ASN 28 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1f6v n ASN 28 Cb 0.48 0.34 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 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 -0.96 1.07 0.03 8.20 0.00 -1.26 -4.82 105.19 107.44 1f6v n GLY 29 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 2.89 0.09 1.61 2.13 -1.26 -4.05 120.64 122.05 1f6v n GLU 30 Ca 0.00 -0.01 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1f6v n GLU 30 Cb 0.00 -1.15 -0.02 0.00 0.27 0.00 0.00 31.44 30.54 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 -3.30 116.57 123.27 1f6v h LYS 31 Ca -0.15 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.28 1f6v h LYS 31 Cb 1.31 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.94 1f6v h LYS 31 CO 0.01 0.24 -1.39 -0.85 -2.06 0.00 0.00 179.45 175.40 1f6v n GLU 32 N -2.94 0.62 0.10 3.15 -0.00 -1.08 -3.72 120.64 116.76 1f6v n GLU 32 Ca -0.03 0.22 -0.01 0.00 -0.00 0.00 0.00 57.16 57.34 1f6v n GLU 32 Cb 0.72 -1.81 0.28 0.00 -0.00 0.00 0.00 31.44 30.63 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 0.25 0.49 -1.84 8.10 -1.70 -2.87 115.31 117.74 1f6v h LEU 33 Ca -0.16 -0.08 -0.02 0.00 0.11 0.00 0.00 57.88 57.73 1f6v h LEU 33 Cb 1.55 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.71 1f6v h LEU 33 CO 0.04 0.55 -0.24 -0.08 -4.11 0.00 0.00 178.44 174.61 1f6v h GLU 34 N 0.22 -0.64 -0.56 0.17 4.81 -1.67 0.27 114.58 117.18 1f6v h GLU 34 Ca 0.03 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 1f6v h GLU 34 Cb 0.66 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.08 1f6v h GLU 34 CO 0.05 -0.43 -0.49 1.25 -0.73 0.00 0.00 179.01 178.66 1f6v h LEU 35 N -1.13 -1.68 -1.51 1.64 7.12 -1.64 0.63 115.31 118.74 1f6v h LEU 35 Ca -0.07 0.25 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 1f6v h LEU 35 Cb 0.51 0.73 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1f6v h LEU 35 CO 0.11 -0.35 -0.25 0.25 -0.13 0.00 0.00 178.44 178.07 1f6v h LEU 36 N -0.26 0.00 -1.68 2.25 7.12 -1.60 0.34 115.31 121.49 1f6v h LEU 36 Ca 0.14 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1f6v h LEU 36 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1f6v h LEU 36 CO -0.68 0.25 0.00 -0.61 -0.13 0.00 0.00 178.44 177.27 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.40 -1.88 115.11 119.03 1f6v h GLN 37 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1f6v h GLN 37 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1f6v h GLN 37 CO 0.03 0.00 -0.42 1.04 -1.93 0.00 0.00 178.83 177.56 1f6v n GLN 38 N -2.46 0.27 0.03 1.69 6.02 -0.29 -4.76 117.38 117.88 1f6v n GLN 38 Ca -0.01 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.61 1f6v n GLN 38 Cb 0.08 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 30.64 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 -0.28 0.39 0.62 5.09 2.08 0.11 -4.37 119.36 122.98 1f6v n ILE 39 Ca 0.04 0.13 0.08 0.00 0.56 0.00 0.00 62.75 63.56 1f6v n ILE 39 Cb 0.70 -1.32 0.37 0.00 -0.75 0.00 0.00 39.64 38.65 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 -3.13 1.80 0.32 -1.39 0.00 -1.11 -0.50 120.51 116.50 1f6v n ALA 40 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1f6v n ALA 40 Cb 0.24 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.47 0.46 -2.60 0.00 1.13 -1.26 -4.31 117.38 109.34 1f6v n GLN 41 Ca 0.05 0.04 -0.03 0.00 -1.94 0.00 0.00 57.00 55.12 1f6v n GLN 41 Cb 0.19 -1.69 0.05 0.00 0.11 0.00 0.00 30.24 28.89 1f6v n GLN 41 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1f6v n LYS 42 N -2.30 1.83 -1.38 -1.09 -0.00 -0.25 -5.08 118.16 109.88 1f6v n LYS 42 Ca 0.01 -3.47 -0.29 0.00 -0.00 0.00 0.00 58.31 54.56 1f6v n LYS 42 Cb 0.50 -1.57 0.15 0.00 -0.00 0.00 0.00 35.03 34.12 1f6v n LYS 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1f6v s PRO 43 N -3.47 0.79 0.00 -1.58 0.04 0.34 -2.57 135.00 128.55 1f6v s PRO 43 Ca 0.31 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1f6v s PRO 43 Cb 0.34 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 33.09 1f6v s PRO 43 CO -0.04 -2.45 0.49 0.41 0.04 0.00 0.00 177.00 175.45 1f6v n GLY 44 N -1.74 -1.91 0.00 0.56 0.00 -1.26 -4.19 105.19 96.65 1f6v n GLY 44 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 -0.14 4.61 0.00 -1.26 -4.67 120.51 119.05 1f6v n ALA 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1f6v n ALA 45 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.44 0.00 0.00 6.46 -1.92 -1.49 115.31 116.92 1f6v h LEU 46 Ca 0.00 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1f6v h LEU 46 Cb 0.00 0.60 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1f6v h LEU 46 CO 0.00 -0.28 0.00 -1.14 -0.62 0.00 0.00 178.44 176.40 1f6v n ARG 47 N -4.70 0.00 -0.03 1.25 0.00 1.91 0.10 116.66 115.20 1f6v n ARG 47 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.76 1f6v n ARG 47 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.65 1f6v n ARG 47 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1f6v h ILE 48 N 0.00 0.00 -0.01 5.15 2.04 -1.21 -0.38 117.51 123.10 1f6v h ILE 48 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1f6v h ILE 48 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1f6v h ILE 48 CO 0.00 0.00 -0.03 0.18 0.00 0.00 0.00 178.15 178.30 1f6v n LEU 49 N -4.06 1.01 0.11 1.44 4.32 0.29 -3.61 117.00 116.50 1f6v n LEU 49 Ca -0.03 -0.31 -0.03 0.00 -0.02 0.00 0.00 56.01 55.62 1f6v n LEU 49 Cb 0.19 -0.03 0.07 0.00 -1.62 0.00 0.00 43.42 42.02 1f6v n LEU 49 CO 0.03 0.17 0.37 -1.13 -1.22 0.00 0.00 177.39 175.61 1f6v h ASN 50 N 1.53 0.00 -1.27 -1.43 -0.00 0.16 0.32 115.58 114.88 1f6v h ASN 50 Ca 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 56.30 56.67 1f6v h ASN 50 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 1f6v h ASN 50 CO 0.00 0.74 1.08 -0.74 -0.00 0.00 0.00 177.43 178.51 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.35 0.72 115.15 117.95 1f6v h HIS 51 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1f6v h HIS 51 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 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 -3.76 0.05 0.14 3.26 7.64 -1.11 -4.61 113.62 115.22 1f6v n SER 52 Ca 0.28 -0.36 0.12 0.00 1.01 0.00 0.00 58.87 59.92 1f6v n SER 52 Cb 1.48 0.57 0.17 0.00 -1.01 0.00 0.00 64.21 65.42 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 -1.91 -3.43 4.07 0.19 -3.12 115.31 111.12 1f6v h LEU 53 Ca 0.00 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.00 1f6v h LEU 53 Cb 0.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1f6v h LEU 53 CO 0.00 0.02 0.44 -0.09 -1.08 0.00 0.00 178.44 177.73 1f6v h ARG 54 N 0.00 0.00 -0.70 1.13 2.43 -1.49 0.37 114.38 116.12 1f6v h ARG 54 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1f6v h ARG 54 Cb 0.91 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1f6v h ARG 54 CO 0.00 0.00 0.46 -0.07 -1.51 0.00 0.00 179.97 178.85 1f6v h LEU 55 N 0.00 0.81 -0.38 3.80 -0.00 -1.82 -2.93 115.31 114.79 1f6v h LEU 55 Ca 0.12 -0.02 0.16 0.00 -0.00 0.00 0.00 57.88 58.14 1f6v h LEU 55 Cb 1.00 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 41.39 1f6v h LEU 55 CO -0.00 0.59 0.19 0.00 -0.00 0.00 0.00 178.44 179.21 1f6v n ALA 56 N -2.29 0.38 -0.10 1.53 0.00 0.13 0.26 120.51 120.42 1f6v n ALA 56 Ca 0.06 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 1f6v n ALA 56 Cb 0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.79 1.42 -1.62 0.00 0.00 -1.12 -3.86 120.51 112.53 1f6v n ALA 57 Ca 0.14 -1.12 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 1f6v n ALA 57 Cb 0.48 -0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.52 1.70 -0.22 0.00 0.00 0.72 -4.70 119.30 114.28 1f6v s MET 58 Ca -0.21 0.43 0.07 0.00 0.00 0.00 0.00 55.69 55.98 1f6v s MET 58 Cb 0.08 -4.81 0.53 0.00 0.00 0.00 0.00 34.83 30.63 1f6v s MET 58 CO 0.73 -4.32 1.46 -2.37 0.00 0.00 0.00 175.02 170.52 1f6v n THR 59 N 8.68 2.14 -0.12 10.11 5.66 -1.26 -3.82 114.28 135.67 1f6v n THR 59 Ca 0.46 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 1f6v n THR 59 Cb 0.44 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 0.03 2.16 -1.42 1.79 0.00 -1.26 -4.99 120.51 116.81 1f6v n ALA 60 Ca 0.27 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1f6v n ALA 60 Cb 1.06 0.00 -0.22 0.00 0.00 0.00 0.00 19.45 20.29 1f6v n ALA 60 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1f6v n HIS 61 N -0.04 0.01 -2.36 0.00 -0.00 -1.25 -4.73 115.22 106.85 1f6v n HIS 61 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 1f6v n HIS 61 Cb 0.03 -0.49 0.00 0.00 -0.00 0.00 0.00 29.99 29.53 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 5.23 3.37 0.15 1.57 0.00 -1.26 -3.74 105.19 110.50 1f6v n GLY 62 Ca 0.64 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 7.10 0.00 -3.11 1.61 4.81 -1.26 -5.09 118.16 122.22 1f6v n LYS 63 Ca 0.48 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.95 1f6v n LYS 63 Cb 0.43 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 -1.23 -1.24 -0.25 3.14 0.00 -1.25 -5.15 107.32 101.34 1f6v s GLY 64 Ca 0.00 1.10 -0.16 0.00 0.00 0.00 0.00 44.72 45.66 1f6v s GLY 64 CO 0.00 3.87 0.63 -1.83 0.00 0.00 0.00 173.10 175.77 1f6v s GLU 65 N 2.47 0.67 0.00 2.90 -1.05 -1.26 -4.23 118.70 118.20 1f6v s GLU 65 Ca 0.16 1.08 0.00 0.00 -0.15 0.00 0.00 54.97 56.06 1f6v s GLU 65 Cb -0.05 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1f6v s GLU 65 CO -0.19 -0.14 0.00 -2.13 0.95 0.00 0.00 175.26 173.76 1f6v n ARG 66 N 3.93 2.01 -2.00 -4.83 0.63 -1.26 -5.01 116.66 110.13 1f6v n ARG 66 Ca -0.19 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.70 1f6v n ARG 66 Cb 0.58 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.53 1f6v n ARG 66 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1f6v n VAL 67 N 0.00 0.02 -1.28 5.15 0.24 -1.26 -4.82 118.33 116.38 1f6v n VAL 67 Ca 0.00 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1f6v n VAL 67 Cb 0.00 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1f6v n VAL 67 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1f6v n ASN 68 N -0.90 0.00 -0.33 -1.34 2.85 -1.26 -4.93 115.26 109.35 1f6v n ASN 68 Ca -0.21 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.27 1f6v n ASN 68 Cb 0.81 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.98 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 1.05 -0.28 1.20 5.08 -1.85 -1.99 114.58 117.79 1f6v h GLU 69 Ca 0.00 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1f6v h GLU 69 Cb 0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1f6v h GLU 69 CO 0.00 0.69 0.09 -0.44 -1.00 0.00 0.00 179.01 178.35 1f6v h ASP 70 N 1.08 0.41 -0.49 1.42 3.32 -1.95 -2.97 116.42 117.23 1f6v h ASP 70 Ca 0.39 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.36 1f6v h ASP 70 Cb 0.13 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.48 1f6v h ASP 70 CO -0.16 0.50 -0.03 0.00 -1.72 0.00 0.00 179.24 177.83 1f6v n TYR 71 N -4.72 0.27 0.24 4.55 9.36 -0.75 0.15 117.16 126.26 1f6v n TYR 71 Ca -0.02 0.59 -0.16 0.00 3.32 0.00 0.00 57.90 61.62 1f6v n TYR 71 Cb 0.16 -0.84 -0.08 0.00 -0.63 0.00 0.00 39.34 37.94 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 -1.15 0.64 2.98 3.38 -1.59 0.79 115.31 120.35 1f6v h LEU 72 Ca 0.28 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 1f6v h LEU 72 Cb 0.53 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1f6v h LEU 72 CO -0.47 -0.56 -0.32 -0.09 0.09 0.00 0.00 178.44 177.09 1f6v h ARG 73 N -0.83 -0.84 0.00 1.13 2.43 0.12 0.95 114.38 117.34 1f6v h ARG 73 Ca -0.03 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1f6v h ARG 73 Cb 0.75 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1f6v h ARG 73 CO -0.09 -0.56 0.43 0.37 -1.51 0.00 0.00 179.97 178.61 1f6v h GLN 74 N -0.88 0.00 0.00 0.20 5.75 -0.87 1.37 115.11 120.69 1f6v h GLN 74 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1f6v h GLN 74 Cb 0.68 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.23 1f6v h GLN 74 CO 0.13 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.17 1f6v h ALA 75 N 1.10 0.00 -0.90 3.38 0.00 0.29 -3.05 119.26 120.06 1f6v h ALA 75 Ca 0.00 -0.15 -0.46 0.00 0.00 0.00 0.00 54.91 54.30 1f6v h ALA 75 Cb 0.87 0.14 -0.28 0.00 0.00 0.00 0.00 17.79 18.52 1f6v h ALA 75 CO 0.00 0.14 0.59 1.97 0.00 0.00 0.00 179.25 181.95 1f6v n PHE 76 N -4.30 2.80 0.00 0.00 -1.74 0.05 -4.40 117.46 109.86 1f6v n PHE 76 Ca -0.02 -1.70 0.00 0.00 -0.56 0.00 0.00 57.45 55.17 1f6v n PHE 76 Cb 0.07 -0.88 0.00 0.00 1.52 0.00 0.00 39.48 40.19 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 -0.96 0.00 0.22 3.97 5.12 0.46 -4.75 116.66 120.72 1f6v n ARG 77 Ca 0.54 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.59 1f6v n ARG 77 Cb 1.57 -0.21 0.67 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 -1.36 -3.22 114.58 115.56 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 -0.07 1.28 -0.00 0.00 0.00 179.01 180.22 1f6v n LEU 79 N -2.44 0.14 0.00 3.06 4.32 -1.26 -5.07 117.00 115.75 1f6v n LEU 79 Ca -0.02 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1f6v n LEU 79 Cb 0.16 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1f6v n LEU 79 CO 0.11 -0.48 0.00 -0.90 -1.22 0.00 0.00 177.39 174.90 1f6v n ASP 80 N -2.64 0.00 -1.21 -1.43 5.68 -1.22 -4.96 116.55 110.78 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 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.86 0.00 -2.12 4.77 -1.26 -4.94 117.00 111.59 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 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 1f6v n ASP 82 N -1.21 0.00 0.00 -1.43 5.75 -1.26 -4.99 116.55 113.42 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 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.32 0.00 0.04 2.12 0.24 -1.26 -4.87 118.33 114.27 1f6v n VAL 83 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1f6v n VAL 83 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 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 0.48 -0.06 -1.34 5.19 -1.93 -2.74 116.42 116.03 1f6v h ASP 84 Ca 0.00 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1f6v h ASP 84 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1f6v h ASP 84 CO 0.00 0.93 0.00 2.30 -3.12 0.00 0.00 179.24 179.35 1f6v n ILE 85 N -3.94 0.06 -0.21 0.35 -0.00 -1.26 -4.85 119.36 109.51 1f6v n ILE 85 Ca -0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1f6v n ILE 85 Cb 0.59 0.20 0.00 0.00 -0.00 0.00 0.00 39.64 40.43 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 -0.09 -0.03 -0.06 7.28 3.41 -1.03 -4.86 113.62 118.24 1f6v n SER 86 Ca 0.18 -0.21 -0.01 0.00 -0.26 0.00 0.00 58.87 58.57 1f6v n SER 86 Cb 0.27 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.51 0.78 -2.56 6.66 -1.04 -1.26 -4.77 114.28 111.57 1f6v n THR 87 Ca 0.00 -0.68 -0.41 0.00 -2.04 0.00 0.00 64.05 60.92 1f6v n THR 87 Cb 0.00 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 1f6v n THR 87 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6v s LEU 88 N -5.02 3.42 0.08 -4.42 1.02 -1.26 -4.61 118.68 107.88 1f6v s LEU 88 Ca -0.09 -1.13 0.00 0.00 0.02 0.00 0.00 54.13 52.93 1f6v s LEU 88 Cb 0.09 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.74 1f6v s LEU 88 CO 0.83 -1.61 0.00 -0.11 0.02 0.00 0.00 176.35 175.48 1f6v n LEU 89 N 9.00 0.05 0.00 1.79 7.94 -1.26 -4.83 117.00 129.69 1f6v n LEU 89 Ca 0.23 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1f6v n LEU 89 Cb 0.50 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.53 1f6v n LEU 89 CO 0.67 -0.59 0.00 -2.11 -1.11 0.00 0.00 177.39 174.25 1f6v n ARG 90 N -2.82 0.00 0.00 1.96 1.85 -1.26 -5.17 116.66 111.22 1f6v n ARG 90 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 1f6v n ARG 90 Cb 0.00 0.00 0.79 0.00 -1.05 0.00 0.00 32.46 32.20 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89