#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 2.20 -2.01 1.61 7.64 -1.26 -4.60 113.62 117.20 1f6v n SER 2 Ca 0.00 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 59.71 1f6v n SER 2 Cb 0.00 -0.23 0.15 0.00 -1.01 0.00 0.00 64.21 63.12 1f6v n SER 2 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f6v n ARG 3 N -3.09 2.04 -0.66 1.43 0.63 -1.26 -4.75 116.66 110.99 1f6v n ARG 3 Ca -0.20 -2.47 -0.31 0.00 -0.92 0.00 0.00 57.85 53.95 1f6v n ARG 3 Cb 0.68 -1.97 0.18 0.00 0.45 0.00 0.00 32.46 31.80 1f6v n ARG 3 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1f6v n ILE 4 N -0.85 0.00 -0.01 5.15 -5.35 -1.26 -4.88 119.36 112.16 1f6v n ILE 4 Ca 0.49 -0.22 -0.07 0.00 -0.27 0.00 0.00 62.75 62.68 1f6v n ILE 4 Cb 1.47 -0.80 0.11 0.00 -1.74 0.00 0.00 39.64 38.68 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f6v h ALA 5 N -2.02 0.87 -3.00 -1.28 0.00 -1.98 -3.44 119.26 108.41 1f6v h ALA 5 Ca -0.50 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1f6v h ALA 5 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1f6v h ALA 5 CO 0.40 0.64 0.00 1.63 0.00 0.00 0.00 179.25 181.92 1f6v n LYS 6 N -4.04 -0.16 -0.87 0.00 4.01 -1.26 -5.02 118.16 110.82 1f6v n LYS 6 Ca -0.01 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.49 1f6v n LYS 6 Cb 0.50 0.00 0.23 0.00 -0.51 0.00 0.00 35.03 35.26 1f6v n LYS 6 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1f6v s ARG 7 N -2.50 -0.97 0.00 1.97 6.06 -1.26 -4.93 118.95 117.32 1f6v s ARG 7 Ca 0.00 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 1f6v s ARG 7 Cb 0.00 -1.59 0.00 0.00 0.06 0.00 0.00 34.95 33.42 1f6v s ARG 7 CO 0.00 -3.63 0.86 0.25 -2.50 0.00 0.00 175.30 170.28 1f6v n THR 8 N -4.77 0.00 -2.65 4.11 -2.24 -1.26 -4.73 114.28 102.74 1f6v n THR 8 Ca 0.08 1.36 0.00 0.00 -2.27 0.00 0.00 64.05 63.22 1f6v n THR 8 Cb 0.58 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.80 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6v n ALA 9 N -2.22 0.00 -0.31 6.98 0.00 -1.25 -4.83 120.51 118.88 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 -0.69 0.00 -0.09 0.00 5.41 0.12 -4.75 119.36 119.35 1f6v n ILE 10 Ca 0.00 0.35 0.01 0.00 1.00 0.00 0.00 62.75 64.11 1f6v n ILE 10 Cb 0.00 -1.29 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 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 -2.07 -0.56 -4.51 4.38 4.05 0.18 -4.58 115.26 112.15 1f6v n ASN 11 Ca 0.00 0.06 -0.30 0.00 0.45 0.00 0.00 54.58 54.79 1f6v n ASN 11 Cb 0.00 -0.30 -0.16 0.00 1.23 0.00 0.00 39.78 40.55 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 -2.29 0.18 -0.71 1.20 4.01 -1.26 -4.82 118.16 114.46 1f6v n LYS 12 Ca -0.00 -0.10 -0.32 0.00 -0.51 0.00 0.00 58.31 57.38 1f6v n LYS 12 Cb 0.04 -1.77 0.16 0.00 -0.51 0.00 0.00 35.03 32.95 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 6.93 0.00 -0.28 -0.18 -1.04 -1.26 -4.01 114.28 114.43 1f6v n THR 13 Ca 0.61 -0.19 0.10 0.00 -2.04 0.00 0.00 64.05 62.53 1f6v n THR 13 Cb 0.18 -0.74 0.25 0.00 -1.82 0.00 0.00 70.33 68.19 1f6v n THR 13 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1f6v h LYS 14 N -1.86 0.23 -0.53 -2.82 2.10 -1.95 2.46 116.57 114.21 1f6v h LYS 14 Ca -0.47 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.08 1f6v h LYS 14 Cb 1.30 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 1f6v h LYS 14 CO 0.38 0.16 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.74 1f6v h LYS 15 N 0.24 0.92 -0.57 0.07 1.63 -1.99 -1.30 116.57 115.57 1f6v h LYS 15 Ca 0.50 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1f6v h LYS 15 Cb 0.95 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1f6v h LYS 15 CO -0.60 0.93 0.00 0.00 -3.45 0.00 0.00 179.45 176.33 1f6v n ALA 16 N -2.48 2.80 0.06 5.00 0.00 0.33 -3.81 120.51 122.42 1f6v n ALA 16 Ca 0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 53.44 52.55 1f6v n ALA 16 Cb 0.34 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 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 2.25 0.00 0.00 0.00 3.58 0.49 -1.41 116.42 121.33 1f6v h ASP 17 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1f6v h ASP 17 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1f6v h ASP 17 CO 0.12 0.99 -1.75 1.33 -2.88 0.00 0.00 179.24 177.04 1f6v n VAL 18 N -3.36 0.26 0.01 2.25 0.24 -1.25 -3.93 118.33 112.54 1f6v n VAL 18 Ca -0.00 -0.41 -0.03 0.00 -2.04 0.00 0.00 64.34 61.86 1f6v n VAL 18 Cb 0.93 -0.06 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 1f6v n VAL 18 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1f6v n LYS 19 N -2.15 0.63 0.05 7.34 -0.00 -1.25 -3.89 118.16 118.88 1f6v n LYS 19 Ca -0.08 0.25 -0.21 0.00 -0.00 0.00 0.00 58.31 58.27 1f6v n LYS 19 Cb 0.54 -1.80 -0.11 0.00 -0.00 0.00 0.00 35.03 33.67 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 1.25 0.10 0.00 0.58 0.00 -1.47 -1.86 119.26 117.86 1f6v h ALA 20 Ca -0.22 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1f6v h ALA 20 Cb 1.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1f6v h ALA 20 CO 0.06 0.68 0.12 0.82 0.00 0.00 0.00 179.25 180.93 1f6v h ILE 21 N 0.37 0.00 0.00 0.00 5.03 -1.70 0.87 117.51 122.09 1f6v h ILE 21 Ca -0.14 0.00 -0.29 0.00 -0.12 0.00 0.00 64.86 64.31 1f6v h ILE 21 Cb 1.74 0.60 -0.04 0.00 -3.03 0.00 0.00 36.82 36.08 1f6v h ILE 21 CO 0.21 0.00 -1.79 0.00 -0.68 0.00 0.00 178.15 175.89 1f6v n ALA 22 N -1.83 0.97 -0.14 1.87 0.00 -1.05 -4.29 120.51 116.06 1f6v n ALA 22 Ca -0.02 -0.84 0.07 0.00 0.00 0.00 0.00 53.44 52.65 1f6v n ALA 22 Cb 0.16 -0.07 0.28 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.36 3.88 -0.12 0.00 -0.08 -0.73 -4.46 116.55 110.68 1f6v n ASP 23 Ca -0.38 -2.41 -0.26 0.00 -1.51 0.00 0.00 54.79 50.23 1f6v n ASP 23 Cb 0.72 -0.53 -0.11 0.00 2.34 0.00 0.00 41.12 43.54 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 0.73 1.02 -1.96 -1.67 0.00 0.30 -3.58 120.51 115.35 1f6v n ALA 24 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1f6v n ALA 24 Cb 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.26 0.00 -1.81 0.00 8.01 -1.26 -4.54 117.44 113.59 1f6v n TRP 25 Ca -0.44 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.54 1f6v n TRP 25 Cb 0.81 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 30.02 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 4.44 1.77 -0.04 -0.99 2.00 -1.25 -4.35 119.66 121.24 1f6v s GLN 26 Ca 0.00 -0.69 0.04 0.00 -2.00 0.00 0.00 55.36 52.71 1f6v s GLN 26 Cb 0.00 -5.08 -0.06 0.00 0.80 0.00 0.00 33.01 28.67 1f6v s GLN 26 CO 0.00 -4.79 0.03 1.51 -0.50 0.00 0.00 175.29 171.54 1f6v n ILE 27 N 8.49 0.27 0.09 -2.34 0.00 -1.26 -4.34 119.36 120.27 1f6v n ILE 27 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 62.75 63.00 1f6v n ILE 27 Cb 0.47 -0.71 0.00 0.00 0.00 0.00 0.00 39.64 39.40 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 -1.12 0.00 9.51 5.15 -1.26 -3.83 115.26 121.60 1f6v n ASN 28 Ca -0.07 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.25 1f6v n ASN 28 Cb 0.58 1.24 0.00 0.00 -0.53 0.00 0.00 39.78 41.07 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 -0.12 1.10 0.04 8.20 0.00 -1.26 -4.86 105.19 108.28 1f6v n GLY 29 Ca 0.00 -0.15 -0.02 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 1.85 -0.01 1.61 2.13 -1.26 -4.21 120.64 120.75 1f6v n GLU 30 Ca 0.00 -0.03 -0.12 0.00 0.66 0.00 0.00 57.16 57.67 1f6v n GLU 30 Cb 0.00 -1.25 -0.14 0.00 0.27 0.00 0.00 31.44 30.33 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 0.09 -0.31 5.31 6.56 -1.91 -3.33 116.57 122.97 1f6v h LYS 31 Ca -0.19 -0.15 -0.12 0.00 -1.06 0.00 0.00 60.65 59.14 1f6v h LYS 31 Cb 1.28 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.99 1f6v h LYS 31 CO 0.01 0.74 -0.28 1.05 -2.06 0.00 0.00 179.45 178.91 1f6v h GLU 32 N 0.02 0.74 -0.23 3.15 -0.00 -1.80 -2.37 114.58 114.09 1f6v h GLU 32 Ca -0.31 -0.38 0.07 0.00 -0.00 0.00 0.00 59.36 58.74 1f6v h GLU 32 Cb 2.01 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.76 1f6v h GLU 32 CO 0.09 1.00 0.24 1.37 -0.00 0.00 0.00 179.01 181.71 1f6v h LEU 33 N 0.50 0.00 0.52 3.06 8.10 -1.73 -2.34 115.31 123.42 1f6v h LEU 33 Ca 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.02 1f6v h LEU 33 Cb 0.85 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.07 1f6v h LEU 33 CO 0.07 0.00 -0.25 -0.08 -4.11 0.00 0.00 178.44 174.07 1f6v h GLU 34 N 0.00 -0.67 -0.47 0.17 4.81 -1.53 0.14 114.58 117.03 1f6v h GLU 34 Ca 0.11 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1f6v h GLU 34 Cb 0.59 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.03 1f6v h GLU 34 CO -0.00 -0.38 -0.49 1.25 -0.73 0.00 0.00 179.01 178.66 1f6v h LEU 35 N -1.07 -1.67 -1.89 1.64 7.12 -1.39 0.68 115.31 118.74 1f6v h LEU 35 Ca -0.07 0.24 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 1f6v h LEU 35 Cb 0.60 0.71 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1f6v h LEU 35 CO 0.12 -0.37 -0.13 0.25 -0.13 0.00 0.00 178.44 178.18 1f6v h LEU 36 N -0.33 0.00 -1.63 2.25 7.12 -1.60 0.58 115.31 121.70 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 -0.63 0.13 0.37 -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 0.33 -1.41 115.11 119.43 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 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1f6v h GLN 37 CO 0.02 0.00 -0.37 0.94 -1.93 0.00 0.00 178.83 177.49 1f6v n GLN 38 N -2.69 0.00 -0.00 1.69 7.27 -0.46 -4.90 117.38 118.30 1f6v n GLN 38 Ca -0.02 -0.79 -0.00 0.00 0.07 0.00 0.00 57.00 56.26 1f6v n GLN 38 Cb 0.41 -0.43 -0.00 0.00 2.41 0.00 0.00 30.24 32.63 1f6v n GLN 38 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1f6v n ILE 39 N 0.00 0.03 1.19 1.69 2.08 0.07 -4.31 119.36 120.12 1f6v n ILE 39 Ca 0.00 -0.02 0.14 0.00 0.56 0.00 0.00 62.75 63.43 1f6v n ILE 39 Cb 0.65 -0.70 0.67 0.00 -0.75 0.00 0.00 39.64 39.51 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 -1.93 2.44 0.47 -1.39 0.00 -1.15 -1.46 120.51 117.49 1f6v n ALA 40 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1f6v n ALA 40 Cb 0.42 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.39 1.13 -2.06 0.00 6.02 -1.26 -4.49 117.38 115.34 1f6v n GLN 41 Ca 0.10 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 57.02 1f6v n GLN 41 Cb 0.30 -1.33 0.05 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.67 1.44 0.00 -1.09 -0.00 -1.14 -4.98 118.16 110.73 1f6v n LYS 42 Ca 0.01 -3.10 0.00 0.00 -0.00 0.00 0.00 58.31 55.21 1f6v n LYS 42 Cb 0.33 -1.20 0.00 0.00 -0.00 0.00 0.00 35.03 34.16 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 -0.32 0.00 -1.72 -1.58 -0.04 -0.53 0.47 135.00 131.28 1f6v n PRO 43 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1f6v n PRO 43 Cb 0.92 -0.15 -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 2.11 0.65 0.00 0.55 0.00 -1.26 -2.58 105.19 104.66 1f6v n GLY 44 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.01 0.00 -0.42 4.61 0.00 -1.26 -4.50 120.51 118.93 1f6v n ALA 45 Ca -0.12 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.66 1f6v n ALA 45 Cb 0.47 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.54 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 0.28 -0.54 0.00 7.12 -1.89 0.16 115.31 120.44 1f6v h LEU 46 Ca 0.00 0.15 0.11 0.00 0.13 0.00 0.00 57.88 58.26 1f6v h LEU 46 Cb 0.00 0.13 -0.11 0.00 -0.53 0.00 0.00 40.66 40.15 1f6v h LEU 46 CO 0.00 -0.18 -0.21 0.03 -0.13 0.00 0.00 178.44 177.95 1f6v h ARG 47 N 0.12 -0.08 0.32 1.25 3.08 -1.73 2.36 114.38 119.69 1f6v h ARG 47 Ca 0.80 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.85 1f6v h ARG 47 Cb 2.41 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 32.45 1f6v h ARG 47 CO -0.45 -0.05 -0.42 0.82 -1.07 0.00 0.00 179.97 178.80 1f6v h ILE 48 N -0.08 0.00 0.00 2.04 2.04 -0.39 0.98 117.51 122.09 1f6v h ILE 48 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1f6v h ILE 48 Cb 0.47 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1f6v h ILE 48 CO -0.60 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.73 1f6v n LEU 49 N -4.91 0.00 0.18 1.44 4.32 -0.94 -2.69 117.00 114.40 1f6v n LEU 49 Ca -0.09 0.06 0.04 0.00 -0.02 0.00 0.00 56.01 55.99 1f6v n LEU 49 Cb 0.36 -0.06 0.34 0.00 -1.62 0.00 0.00 43.42 42.45 1f6v n LEU 49 CO 0.19 -0.02 0.68 -1.13 -1.22 0.00 0.00 177.39 175.89 1f6v h ASN 50 N 0.00 0.00 -1.71 -1.43 -0.00 0.66 0.40 115.58 113.50 1f6v h ASN 50 Ca 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 56.30 56.80 1f6v h ASN 50 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.29 1f6v h ASN 50 CO 0.00 0.41 1.25 -0.74 -0.00 0.00 0.00 177.43 178.35 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.34 0.43 115.15 117.66 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 0.82 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.78 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 -3.98 0.20 0.07 3.26 7.64 -1.00 -4.63 113.62 115.19 1f6v n SER 52 Ca 0.38 -0.56 0.12 0.00 1.01 0.00 0.00 58.87 59.83 1f6v n SER 52 Cb 1.78 0.26 0.27 0.00 -1.01 0.00 0.00 64.21 65.51 1f6v n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f6v n LEU 53 N -0.26 0.71 0.31 -3.43 4.32 0.14 -3.22 117.00 115.57 1f6v n LEU 53 Ca 0.00 0.35 0.17 0.00 -0.02 0.00 0.00 56.01 56.52 1f6v n LEU 53 Cb 0.06 -0.24 0.89 0.00 -1.62 0.00 0.00 43.42 42.50 1f6v n LEU 53 CO 0.00 -0.09 1.14 -0.09 -1.22 0.00 0.00 177.39 177.13 1f6v h ARG 54 N 0.00 0.00 -0.74 3.23 9.65 -1.49 0.26 114.38 125.29 1f6v h ARG 54 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1f6v h ARG 54 Cb 0.73 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 1f6v h ARG 54 CO 0.00 0.00 0.23 -0.07 2.80 0.00 0.00 179.97 182.93 1f6v h LEU 55 N 0.00 1.08 -0.63 3.80 -0.00 -1.83 -2.89 115.31 114.84 1f6v h LEU 55 Ca 0.02 -0.21 0.24 0.00 -0.00 0.00 0.00 57.88 57.93 1f6v h LEU 55 Cb 0.56 -0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 40.86 1f6v h LEU 55 CO -0.00 1.01 0.39 0.00 -0.00 0.00 0.00 178.44 179.83 1f6v n ALA 56 N -2.45 0.64 -0.11 1.53 0.00 0.92 0.24 120.51 121.28 1f6v n ALA 56 Ca 0.06 0.48 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1f6v n ALA 56 Cb 0.23 -0.54 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.59 1.51 -1.70 0.00 0.00 -1.13 -3.80 120.51 112.79 1f6v n ALA 57 Ca 0.20 -1.19 -0.24 0.00 0.00 0.00 0.00 53.44 52.21 1f6v n ALA 57 Cb 0.75 -0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.47 2.00 -0.18 0.00 0.00 0.66 -4.72 119.30 114.58 1f6v s MET 58 Ca -0.18 0.61 0.11 0.00 0.00 0.00 0.00 55.69 56.23 1f6v s MET 58 Cb 0.07 -4.74 0.65 0.00 0.00 0.00 0.00 34.83 30.80 1f6v s MET 58 CO 0.70 -3.78 1.48 -2.37 0.00 0.00 0.00 175.02 171.05 1f6v n THR 59 N 8.26 2.16 -1.65 10.11 5.66 -1.26 -3.92 114.28 133.64 1f6v n THR 59 Ca 0.40 -1.10 0.02 0.00 -3.05 0.00 0.00 64.05 60.33 1f6v n THR 59 Cb 0.48 -0.32 0.03 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 0.50 1.98 -0.16 1.79 0.00 -1.26 -4.94 120.51 118.41 1f6v n ALA 60 Ca 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1f6v n ALA 60 Cb 0.99 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.35 0.00 0.00 0.00 -0.00 -1.25 -4.78 115.22 108.84 1f6v n HIS 61 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1f6v n HIS 61 Cb 0.66 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 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 -0.96 2.43 0.11 1.57 0.00 -1.26 -4.82 105.19 102.25 1f6v n GLY 62 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.68 -3.15 1.61 3.00 -1.26 -4.93 118.16 112.10 1f6v n LYS 63 Ca 0.00 0.17 0.06 0.00 -0.00 0.00 0.00 58.31 58.54 1f6v n LYS 63 Cb 0.00 -1.65 -0.01 0.00 0.00 0.00 0.00 35.03 33.37 1f6v n LYS 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1f6v s GLY 64 N -5.54 -0.58 -0.30 3.14 0.00 -1.26 -5.04 107.32 97.73 1f6v s GLY 64 Ca -0.14 2.56 0.01 0.00 0.00 0.00 0.00 44.72 47.14 1f6v s GLY 64 CO 0.78 4.05 0.65 -1.83 0.00 0.00 0.00 173.10 176.75 1f6v s GLU 65 N 2.97 0.52 0.00 2.90 -1.05 -1.25 -3.99 118.70 118.79 1f6v s GLU 65 Ca 0.14 0.72 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 1f6v s GLU 65 Cb -0.05 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1f6v s GLU 65 CO -0.16 -0.76 0.00 -2.13 0.95 0.00 0.00 175.26 173.16 1f6v n ARG 66 N 5.41 2.63 -3.02 -4.83 3.00 -1.26 -4.96 116.66 113.63 1f6v n ARG 66 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.72 1f6v n ARG 66 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.00 1f6v n ARG 66 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1f6v n VAL 67 N 0.00 -0.13 -3.73 5.15 0.24 -1.26 -4.72 118.33 113.88 1f6v n VAL 67 Ca 0.00 -3.40 0.00 0.00 -2.04 0.00 0.00 64.34 58.90 1f6v n VAL 67 Cb 0.00 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1f6v n ASN 68 N 0.39 0.00 -0.42 -1.34 4.13 -1.26 -4.88 115.26 111.87 1f6v n ASN 68 Ca 0.18 0.00 0.36 0.00 1.68 0.00 0.00 54.58 56.80 1f6v n ASN 68 Cb 0.67 0.00 0.64 0.00 -1.54 0.00 0.00 39.78 39.54 1f6v n ASN 68 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1f6v h GLU 69 N 0.00 0.06 0.01 3.52 4.11 -1.76 0.56 114.58 121.09 1f6v h GLU 69 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1f6v h GLU 69 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f6v h GLU 69 CO 0.00 0.04 -0.01 -0.44 0.07 0.00 0.00 179.01 178.67 1f6v h ASP 70 N 0.06 -0.02 -0.44 3.06 3.32 -1.91 -3.19 116.42 117.31 1f6v h ASP 70 Ca 0.84 -0.39 0.08 0.00 0.02 0.00 0.00 57.03 57.59 1f6v h ASP 70 Cb 2.53 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 42.00 1f6v h ASP 70 CO -0.51 0.38 -0.12 0.00 -1.72 0.00 0.00 179.24 177.27 1f6v n TYR 71 N -4.91 0.13 0.10 4.55 9.36 0.20 0.10 117.16 126.69 1f6v n TYR 71 Ca -0.08 0.54 -0.13 0.00 3.32 0.00 0.00 57.90 61.55 1f6v n TYR 71 Cb 0.21 -0.74 -0.06 0.00 -0.63 0.00 0.00 39.34 38.12 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 -0.99 -0.30 2.98 3.38 -1.57 1.28 115.31 120.08 1f6v h LEU 72 Ca 0.20 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1f6v h LEU 72 Cb 0.31 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1f6v h LEU 72 CO -0.45 -0.42 0.00 0.54 0.09 0.00 0.00 178.44 178.20 1f6v n ARG 73 N -5.43 0.11 0.00 1.13 1.74 0.28 -1.17 116.66 113.33 1f6v n ARG 73 Ca -0.06 0.30 0.12 0.00 -0.77 0.00 0.00 57.85 57.43 1f6v n ARG 73 Cb 0.34 -1.69 0.17 0.00 -1.02 0.00 0.00 32.46 30.25 1f6v n ARG 73 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1f6v n GLN 74 N -1.90 1.82 -0.11 5.56 -0.06 0.30 -2.72 117.38 120.26 1f6v n GLN 74 Ca 0.03 -1.42 -0.17 0.00 -2.00 0.00 0.00 57.00 53.44 1f6v n GLN 74 Cb 0.24 -1.47 -0.06 0.00 -4.06 0.00 0.00 30.24 24.89 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 0.65 1.06 -0.95 1.69 0.00 0.41 -3.59 120.51 119.78 1f6v n ALA 75 Ca 0.13 -0.92 -0.21 0.00 0.00 0.00 0.00 53.44 52.44 1f6v n ALA 75 Cb 0.51 0.08 0.16 0.00 0.00 0.00 0.00 19.45 20.19 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 -4.35 2.69 0.00 0.00 -1.74 -0.56 -4.44 117.46 109.06 1f6v n PHE 76 Ca -0.30 -1.69 0.00 0.00 -0.56 0.00 0.00 57.45 54.89 1f6v n PHE 76 Cb 0.66 -0.87 0.00 0.00 1.52 0.00 0.00 39.48 40.80 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 -0.94 0.00 0.26 3.97 0.63 -1.17 -4.75 116.66 114.67 1f6v n ARG 77 Ca 0.52 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.60 1f6v n ARG 77 Cb 1.52 -0.10 0.66 0.00 0.45 0.00 0.00 32.46 34.98 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 -1.57 -3.00 114.58 109.88 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 -0.12 1.28 -0.00 0.00 0.00 179.01 180.17 1f6v n LEU 79 N -2.99 0.28 0.00 3.06 4.32 -1.26 -5.06 117.00 115.34 1f6v n LEU 79 Ca 0.01 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1f6v n LEU 79 Cb 0.58 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1f6v n LEU 79 CO 0.14 -0.48 0.00 -0.90 -1.22 0.00 0.00 177.39 174.93 1f6v n ASP 80 N -2.71 0.00 -1.04 -1.43 5.68 -1.13 -4.94 116.55 110.98 1f6v n ASP 80 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1f6v n ASP 80 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 -1.69 0.00 -2.12 4.77 -1.26 -4.92 117.00 111.78 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 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 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 -1.04 0.00 0.00 -1.43 5.68 -1.26 -4.99 116.55 113.51 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 0.42 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1f6v n ASP 82 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1f6v n VAL 83 N -0.30 0.00 0.00 2.12 0.31 -1.26 -4.82 118.33 114.39 1f6v n VAL 83 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1f6v n VAL 83 Cb 0.00 -0.04 0.26 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.49 -0.10 4.52 3.32 -1.92 -1.85 116.42 120.89 1f6v h ASP 84 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1f6v h ASP 84 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1f6v h ASP 84 CO 0.00 0.62 0.00 2.30 -1.72 0.00 0.00 179.24 180.44 1f6v n ILE 85 N -4.22 0.11 0.00 0.35 -0.00 -1.26 -4.50 119.36 109.84 1f6v n ILE 85 Ca 0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.46 1f6v n ILE 85 Cb 0.30 0.42 0.00 0.00 -0.00 0.00 0.00 39.64 40.37 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 0.25 0.00 -1.66 7.28 2.88 -0.69 -4.85 113.62 116.83 1f6v n SER 86 Ca 0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.81 1f6v n SER 86 Cb 0.34 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.00 2.03 -1.93 2.46 -1.04 -1.26 -4.27 114.28 110.27 1f6v n THR 87 Ca 0.00 -1.25 -0.16 0.00 -2.04 0.00 0.00 64.05 60.60 1f6v n THR 87 Cb 0.00 0.05 0.07 0.00 -1.82 0.00 0.00 70.33 68.63 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 1.04 4.32 0.00 -4.42 4.77 -1.26 -5.03 117.00 116.41 1f6v n LEU 88 Ca 0.26 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.74 1f6v n LEU 88 Cb 0.96 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1f6v n LEU 88 CO 0.26 1.91 0.00 0.00 -1.33 0.00 0.00 177.39 178.23 1f6v n LEU 89 N -0.81 0.00 0.00 2.23 -0.00 -1.26 -4.82 117.00 112.34 1f6v n LEU 89 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.38 1f6v n LEU 89 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 1f6v n LEU 89 CO 0.28 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.53 1f6v n ARG 90 N 0.00 0.00 0.00 1.47 0.63 -1.26 -5.14 116.66 112.36 1f6v n ARG 90 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1f6v n ARG 90 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39