#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 6.11 -1.16 1.61 0.15 -1.26 -5.00 113.70 114.15 1f6v s SER 2 Ca 0.00 0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.64 1f6v s SER 2 Cb 0.00 -1.76 0.07 0.00 -1.71 0.00 0.00 66.02 62.62 1f6v s SER 2 CO 0.00 0.01 2.57 0.54 1.20 0.00 0.00 173.24 177.55 1f6v n ARG 3 N -0.85 4.03 -1.59 5.44 1.74 -1.26 -4.90 116.66 119.27 1f6v n ARG 3 Ca -0.08 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 1f6v n ARG 3 Cb 0.55 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 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 1.82 0.00 -3.10 0.55 -5.35 -1.26 -5.10 119.36 106.92 1f6v n ILE 4 Ca 0.61 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.70 1f6v n ILE 4 Cb 0.32 -0.25 -0.05 0.00 -1.74 0.00 0.00 39.64 37.92 1f6v n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1f6v s ALA 5 N -2.00 3.39 0.15 -1.28 0.00 -1.26 -4.97 121.76 115.79 1f6v s ALA 5 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 1f6v s ALA 5 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1f6v s ALA 5 CO 0.00 -0.00 1.59 0.87 0.00 0.00 0.00 175.76 178.21 1f6v h LYS 6 N 6.33 -0.36 0.00 0.00 6.56 -1.98 -3.41 116.57 123.71 1f6v h LYS 6 Ca -0.42 0.02 -0.18 0.00 -1.06 0.00 0.00 60.65 59.01 1f6v h LYS 6 Cb 1.20 0.08 0.08 0.00 -0.57 0.00 0.00 32.23 33.01 1f6v h LYS 6 CO 0.73 -0.24 0.15 -2.13 -2.06 0.00 0.00 179.45 175.91 1f6v n ARG 7 N -5.42 -0.81 -0.02 3.15 3.00 -1.26 -5.02 116.66 110.27 1f6v n ARG 7 Ca -0.02 -0.84 0.00 0.00 -0.00 0.00 0.00 57.85 56.99 1f6v n ARG 7 Cb 0.35 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.21 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 -2.92 0.04 -2.02 5.15 -1.04 -1.26 -5.03 114.28 107.20 1f6v n THR 8 Ca 0.07 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.75 1f6v n THR 8 Cb 0.24 0.96 0.16 0.00 -1.82 0.00 0.00 70.33 69.87 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 -0.04 2.51 0.00 2.41 0.00 -1.26 -4.99 121.76 120.39 1f6v s ALA 9 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1f6v s ALA 9 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1f6v s ALA 9 CO 0.00 -2.16 0.89 -0.89 0.00 0.00 0.00 175.76 173.60 1f6v n ILE 10 N -3.55 0.00 -3.73 0.00 -0.00 -1.25 -4.76 119.36 106.06 1f6v n ILE 10 Ca 0.14 1.39 -0.24 0.00 -0.00 0.00 0.00 62.75 64.04 1f6v n ILE 10 Cb 0.60 -2.12 0.00 0.00 -0.00 0.00 0.00 39.64 38.13 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 -2.16 -5.13 -3.95 4.38 4.05 -0.35 -0.91 115.26 111.19 1f6v n ASN 11 Ca 0.00 -0.90 -0.31 0.00 0.45 0.00 0.00 54.58 53.82 1f6v n ASN 11 Cb 0.00 -2.13 -0.02 0.00 1.23 0.00 0.00 39.78 38.86 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 -2.81 -0.63 -0.87 1.20 0.00 -1.26 -4.72 118.16 109.07 1f6v n LYS 12 Ca -0.26 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 57.73 1f6v n LYS 12 Cb 0.66 -2.06 0.03 0.00 -0.00 0.00 0.00 35.03 33.66 1f6v n LYS 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1f6v n THR 13 N -3.93 0.00 -0.32 0.58 -1.04 -0.09 -2.55 114.28 106.93 1f6v n THR 13 Ca -0.15 -0.41 0.08 0.00 -2.04 0.00 0.00 64.05 61.54 1f6v n THR 13 Cb 0.47 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.59 0.02 -0.61 -2.82 2.10 -1.87 3.07 116.57 115.88 1f6v h LYS 14 Ca -0.35 -0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.22 1f6v h LYS 14 Cb 1.09 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 1f6v h LYS 14 CO 0.23 0.02 0.09 1.57 -2.00 0.00 0.00 179.45 179.35 1f6v h LYS 15 N 0.02 1.01 -0.63 0.07 2.10 -1.99 -1.27 116.57 115.89 1f6v h LYS 15 Ca 0.50 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1f6v h LYS 15 Cb 0.89 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1f6v h LYS 15 CO -0.89 0.95 0.00 0.00 -2.00 0.00 0.00 179.45 177.52 1f6v n ALA 16 N -2.45 2.90 0.11 0.07 0.00 0.40 -3.95 120.51 117.60 1f6v n ALA 16 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.47 1f6v n ALA 16 Cb 0.29 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 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 2.03 0.54 0.44 0.00 3.58 0.62 -0.38 116.42 123.26 1f6v h ASP 17 Ca 0.00 -0.56 -0.22 0.00 0.42 0.00 0.00 57.03 56.67 1f6v h ASP 17 Cb 0.95 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 1f6v h ASP 17 CO 0.15 1.43 -1.74 0.52 -2.88 0.00 0.00 179.24 176.72 1f6v n VAL 18 N -3.60 1.20 0.08 2.25 0.31 -1.25 -3.35 118.33 113.96 1f6v n VAL 18 Ca -0.10 -0.73 -0.16 0.00 -0.01 0.00 0.00 64.34 63.34 1f6v n VAL 18 Cb 1.02 -0.66 -0.14 0.00 -0.91 0.00 0.00 33.84 33.15 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 0.23 -0.38 5.55 5.09 -1.70 -3.27 116.57 122.09 1f6v h LYS 19 Ca -0.26 -0.40 -0.07 0.00 0.09 0.00 0.00 60.65 60.01 1f6v h LYS 19 Cb 1.76 0.15 -0.01 0.00 0.10 0.00 0.00 32.23 34.22 1f6v h LYS 19 CO 0.04 1.13 -0.05 0.00 -2.09 0.00 0.00 179.45 178.48 1f6v h ALA 20 N 0.58 0.52 0.00 0.07 0.00 -1.22 -1.14 119.26 118.06 1f6v h ALA 20 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1f6v h ALA 20 Cb 1.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1f6v h ALA 20 CO 0.17 0.34 0.05 -0.89 0.00 0.00 0.00 179.25 178.93 1f6v n ILE 21 N -4.41 1.12 -0.12 0.00 2.08 -1.21 0.50 119.36 117.32 1f6v n ILE 21 Ca -0.01 0.70 -0.21 0.00 0.56 0.00 0.00 62.75 63.78 1f6v n ILE 21 Cb 0.32 -1.70 -0.07 0.00 -0.75 0.00 0.00 39.64 37.44 1f6v n ILE 21 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6v n ALA 22 N -1.69 1.01 -0.04 -1.39 0.00 -0.54 -4.25 120.51 113.62 1f6v n ALA 22 Ca -0.01 -0.91 0.07 0.00 0.00 0.00 0.00 53.44 52.59 1f6v n ALA 22 Cb 0.08 0.02 0.27 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 3.64 -0.12 0.00 -0.08 -0.57 -4.47 116.55 110.59 1f6v n ASP 23 Ca -0.37 -2.32 -0.25 0.00 -1.51 0.00 0.00 54.79 50.34 1f6v n ASP 23 Cb 0.71 -0.49 -0.10 0.00 2.34 0.00 0.00 41.12 43.58 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 0.78 0.98 -1.77 -1.67 0.00 0.18 -3.62 120.51 115.39 1f6v n ALA 24 Ca 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1f6v n ALA 24 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.35 0.00 -1.88 0.00 8.01 -1.26 -4.64 117.44 113.32 1f6v n TRP 25 Ca -0.42 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.55 1f6v n TRP 25 Cb 0.76 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.99 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 3.36 2.06 -0.02 -0.99 -0.44 -1.23 -4.40 119.66 118.00 1f6v s GLN 26 Ca 0.00 -0.53 0.06 0.00 -2.50 0.00 0.00 55.36 52.38 1f6v s GLN 26 Cb 0.00 -5.07 -0.08 0.00 -1.64 0.00 0.00 33.01 26.22 1f6v s GLN 26 CO 0.00 -4.28 0.10 1.51 0.50 0.00 0.00 175.29 173.12 1f6v n ILE 27 N 8.27 0.08 0.00 -2.34 0.00 -1.26 -4.35 119.36 119.76 1f6v n ILE 27 Ca 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 62.75 63.03 1f6v n ILE 27 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 39.64 40.21 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 -1.81 0.00 0.00 9.51 5.15 -1.26 -3.43 115.26 123.42 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 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 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 -1.08 2.62 0.09 8.20 0.00 -1.26 -4.76 105.19 108.99 1f6v n GLY 29 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 1.04 0.00 1.61 4.07 -1.26 -3.93 120.64 122.18 1f6v n GLU 30 Ca 0.00 -0.01 -0.19 0.00 -0.06 0.00 0.00 57.16 56.90 1f6v n GLU 30 Cb 0.00 -1.46 -0.14 0.00 -0.06 0.00 0.00 31.44 29.78 1f6v n GLU 30 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1f6v h LYS 31 N 0.00 0.23 -0.42 5.31 6.56 -1.92 -3.35 116.57 122.97 1f6v h LYS 31 Ca -0.49 -0.39 -0.04 0.00 -1.06 0.00 0.00 60.65 58.67 1f6v h LYS 31 Cb 2.11 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 33.90 1f6v h LYS 31 CO 0.03 1.09 0.11 1.05 -2.06 0.00 0.00 179.45 179.67 1f6v h GLU 32 N 0.06 0.68 -1.00 3.15 -0.00 -1.79 -2.11 114.58 113.57 1f6v h GLU 32 Ca -0.39 -0.16 0.26 0.00 -0.00 0.00 0.00 59.36 59.07 1f6v h GLU 32 Cb 2.03 -0.09 -0.07 0.00 -0.00 0.00 0.00 28.75 30.63 1f6v h GLU 32 CO 0.09 0.68 0.67 1.37 -0.00 0.00 0.00 179.01 181.83 1f6v h LEU 33 N 0.55 0.28 0.60 3.06 8.10 -1.72 -2.07 115.31 124.10 1f6v h LEU 33 Ca 0.13 0.04 -0.03 0.00 0.11 0.00 0.00 57.88 58.14 1f6v h LEU 33 Cb 0.31 -0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1f6v h LEU 33 CO 0.00 0.08 -0.29 -0.08 -4.11 0.00 0.00 178.44 174.04 1f6v h GLU 34 N 0.26 -0.78 -0.44 0.17 4.81 -1.52 0.19 114.58 117.27 1f6v h GLU 34 Ca 0.52 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.89 1f6v h GLU 34 Cb 1.57 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 31.04 1f6v h GLU 34 CO -0.16 -0.48 -0.33 1.25 -0.73 0.00 0.00 179.01 178.56 1f6v h LEU 35 N -1.15 -1.10 -1.60 1.64 7.12 -1.31 0.72 115.31 119.62 1f6v h LEU 35 Ca -0.08 0.20 -0.05 0.00 0.13 0.00 0.00 57.88 58.08 1f6v h LEU 35 Cb 0.65 0.52 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 1f6v h LEU 35 CO 0.14 -0.32 -0.22 0.25 -0.13 0.00 0.00 178.44 178.16 1f6v h LEU 36 N -0.23 0.00 -1.81 2.25 7.12 -1.55 0.19 115.31 121.27 1f6v h LEU 36 Ca 0.19 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.22 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 -0.57 0.22 0.42 -0.61 -0.13 0.00 0.00 178.44 177.77 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.37 -1.58 115.11 119.30 1f6v h GLN 37 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1f6v h GLN 37 Cb 0.45 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 27.90 1f6v h GLN 37 CO 0.03 0.00 -0.77 0.94 -1.93 0.00 0.00 178.83 177.10 1f6v n GLN 38 N -3.02 0.00 0.00 1.69 7.27 -0.39 -4.90 117.38 118.04 1f6v n GLN 38 Ca 0.00 -1.53 0.00 0.00 0.07 0.00 0.00 57.00 55.54 1f6v n GLN 38 Cb 0.50 -0.08 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 0.29 0.00 1.52 1.69 2.08 0.51 -4.63 119.36 120.82 1f6v n ILE 39 Ca 0.00 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.46 1f6v n ILE 39 Cb 0.95 0.12 0.77 0.00 -0.75 0.00 0.00 39.64 40.73 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 -0.81 2.56 0.35 -1.39 0.00 -1.18 -2.12 120.51 117.91 1f6v n ALA 40 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.37 1f6v n ALA 40 Cb 0.04 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.19 0.59 -1.90 0.00 6.02 -1.26 -4.44 117.38 115.20 1f6v n GLN 41 Ca 0.16 -0.11 -0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1f6v n GLN 41 Cb 0.22 -1.45 0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.91 1.55 0.00 -1.09 0.00 -1.13 -4.83 118.16 110.75 1f6v n LYS 42 Ca -0.01 -3.15 0.07 0.00 -0.00 0.00 0.00 58.31 55.22 1f6v n LYS 42 Cb 0.44 -1.26 0.40 0.00 -0.00 0.00 0.00 35.03 34.61 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 -0.38 0.62 0.00 -1.58 -0.04 -0.90 -1.21 135.00 131.50 1f6v n PRO 43 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1f6v n PRO 43 Cb 0.92 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 0.20 0.37 2.61 0.55 0.00 -1.26 -0.07 105.19 107.59 1f6v n GLY 44 Ca 0.10 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 4.18 4.57 -0.15 4.61 0.00 -1.26 -4.83 120.51 127.63 1f6v n ALA 45 Ca 0.00 -4.24 0.26 0.00 0.00 0.00 0.00 53.44 49.46 1f6v n ALA 45 Cb 0.00 -0.67 0.69 0.00 0.00 0.00 0.00 19.45 19.48 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 2.77 0.05 -0.75 0.00 7.12 -0.76 0.55 115.31 124.28 1f6v h LEU 46 Ca 0.19 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.37 1f6v h LEU 46 Cb 0.83 -0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.83 1f6v h LEU 46 CO 0.78 0.02 -0.00 0.03 -0.13 0.00 0.00 178.44 179.13 1f6v h ARG 47 N 0.05 0.10 -0.01 1.25 3.08 0.14 1.23 114.38 120.21 1f6v h ARG 47 Ca 0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1f6v h ARG 47 Cb 1.51 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1f6v h ARG 47 CO -0.02 0.06 -0.03 0.82 -1.07 0.00 0.00 179.97 179.73 1f6v h ILE 48 N 0.10 0.00 0.00 2.04 2.04 0.17 0.38 117.51 122.24 1f6v h ILE 48 Ca 0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1f6v h ILE 48 Cb 0.71 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1f6v h ILE 48 CO -0.66 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.67 1f6v n LEU 49 N -2.77 0.00 0.21 1.44 4.32 -0.90 -2.37 117.00 116.93 1f6v n LEU 49 Ca -0.00 0.34 0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1f6v n LEU 49 Cb 0.02 -0.34 0.47 0.00 -1.62 0.00 0.00 43.42 41.96 1f6v n LEU 49 CO 0.00 -0.17 0.80 -1.13 -1.22 0.00 0.00 177.39 175.68 1f6v h ASN 50 N 0.00 0.00 -1.49 -1.43 -0.00 0.58 0.51 115.58 113.75 1f6v h ASN 50 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 56.30 56.73 1f6v h ASN 50 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.43 1f6v h ASN 50 CO 0.00 0.28 1.16 -0.74 -0.00 0.00 0.00 177.43 178.13 1f6v h HIS 51 N 0.00 0.00 0.00 0.67 2.76 -1.02 -0.16 115.15 117.39 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 -3.88 0.16 0.08 3.26 7.64 -0.94 -4.48 113.62 115.46 1f6v n SER 52 Ca 0.33 -0.54 0.12 0.00 1.01 0.00 0.00 58.87 59.79 1f6v n SER 52 Cb 1.62 0.21 0.15 0.00 -1.01 0.00 0.00 64.21 65.18 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 -2.48 -3.43 4.07 0.17 -3.19 115.31 110.45 1f6v h LEU 53 Ca 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1f6v h LEU 53 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1f6v h LEU 53 CO 0.00 0.07 0.08 -0.09 -1.08 0.00 0.00 178.44 177.42 1f6v h ARG 54 N 0.00 0.00 -0.50 1.13 2.43 -1.46 0.20 114.38 116.18 1f6v h ARG 54 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1f6v h ARG 54 Cb 0.81 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1f6v h ARG 54 CO 0.00 0.00 0.16 -0.07 -1.51 0.00 0.00 179.97 178.55 1f6v h LEU 55 N 0.00 0.67 -0.42 3.80 -0.00 -1.82 -2.88 115.31 114.67 1f6v h LEU 55 Ca 0.00 -0.10 0.17 0.00 -0.00 0.00 0.00 57.88 57.96 1f6v h LEU 55 Cb 0.15 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.57 1f6v h LEU 55 CO 0.00 0.64 0.23 0.00 -0.00 0.00 0.00 178.44 179.31 1f6v n ALA 56 N -2.46 0.43 -0.03 1.53 0.00 0.71 0.18 120.51 120.87 1f6v n ALA 56 Ca 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 1f6v n ALA 56 Cb 0.19 -0.42 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.69 2.00 -1.81 0.00 0.00 -1.14 -3.49 120.51 113.38 1f6v n ALA 57 Ca 0.16 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.78 1f6v n ALA 57 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.45 2.24 -0.07 0.00 0.00 0.49 -4.72 119.30 114.79 1f6v s MET 58 Ca -0.05 0.56 0.19 0.00 0.00 0.00 0.00 55.69 56.39 1f6v s MET 58 Cb 0.05 -4.69 0.65 0.00 0.00 0.00 0.00 34.83 30.83 1f6v s MET 58 CO 0.44 -3.43 1.55 -2.37 0.00 0.00 0.00 175.02 171.21 1f6v n THR 59 N 7.94 1.41 0.87 10.11 5.66 -1.26 -3.95 114.28 135.05 1f6v n THR 59 Ca 0.35 -1.03 0.10 0.00 -3.05 0.00 0.00 64.05 60.42 1f6v n THR 59 Cb 0.49 0.23 0.01 0.00 -1.55 0.00 0.00 70.33 69.52 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 1.23 3.20 -2.17 1.79 0.00 -1.26 -4.80 120.51 118.50 1f6v n ALA 60 Ca 0.24 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 1f6v n ALA 60 Cb 0.74 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.12 2.09 -2.01 0.00 5.04 -1.25 -4.68 115.29 112.35 1f6v s HIS 61 Ca 0.18 0.10 0.28 0.00 -1.54 0.00 0.00 55.06 54.07 1f6v s HIS 61 Cb 0.16 -4.17 1.66 0.00 0.04 0.00 0.00 32.58 30.27 1f6v s HIS 61 CO 0.45 -1.44 2.07 0.41 -2.34 0.00 0.00 174.74 173.89 1f6v n GLY 62 N 6.00 -0.97 0.00 1.59 0.00 -1.26 -3.19 105.19 107.36 1f6v n GLY 62 Ca 0.44 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.91 0.45 0.00 1.61 0.00 -1.26 -4.74 118.16 113.31 1f6v n LYS 63 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 58.31 58.54 1f6v n LYS 63 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.63 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 1.08 0.57 0.00 3.14 0.00 -1.19 -5.00 105.19 103.78 1f6v n GLY 64 Ca 0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 0.00 0.00 1.61 -0.00 -1.25 -4.30 120.64 116.70 1f6v n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1f6v n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1f6v n GLU 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1f6v n ARG 66 N 0.00 0.00 0.00 3.44 5.12 -1.26 -4.98 116.66 118.98 1f6v n ARG 66 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1f6v n ARG 66 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1f6v n ARG 66 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 1f6v n VAL 67 N 0.00 0.00 -2.61 1.55 3.14 -1.26 -4.86 118.33 114.29 1f6v n VAL 67 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1f6v n VAL 67 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1f6v n VAL 67 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1f6v n ASN 68 N 0.00 0.49 -0.33 6.55 4.13 -1.26 -4.76 115.26 120.09 1f6v n ASN 68 Ca 0.00 -0.36 0.28 0.00 1.68 0.00 0.00 54.58 56.18 1f6v n ASN 68 Cb 0.00 0.00 0.53 0.00 -1.54 0.00 0.00 39.78 38.77 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 0.14 -0.18 3.52 4.11 -1.75 0.86 114.58 121.28 1f6v h GLU 69 Ca 0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.46 1f6v h GLU 69 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1f6v h GLU 69 CO 0.00 0.09 -0.08 -0.44 0.07 0.00 0.00 179.01 178.66 1f6v h ASP 70 N 0.15 -0.27 -0.30 3.06 3.32 -1.91 -2.40 116.42 118.07 1f6v h ASP 70 Ca 0.79 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.97 1f6v h ASP 70 Cb 1.97 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 41.62 1f6v h ASP 70 CO -0.70 -0.10 -0.09 0.00 -1.72 0.00 0.00 179.24 176.63 1f6v n TYR 71 N -5.23 0.07 0.02 4.55 9.36 0.30 0.13 117.16 126.36 1f6v n TYR 71 Ca -0.02 0.37 -0.15 0.00 3.32 0.00 0.00 57.90 61.42 1f6v n TYR 71 Cb 0.15 -0.65 -0.09 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 -1.56 -0.26 2.98 3.38 -1.52 1.05 115.31 119.38 1f6v h LEU 72 Ca 0.13 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1f6v h LEU 72 Cb 0.21 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1f6v h LEU 72 CO -0.31 -0.49 0.14 0.03 0.09 0.00 0.00 178.44 177.91 1f6v h ARG 73 N -0.60 0.36 0.00 1.13 3.08 0.87 0.84 114.38 120.06 1f6v h ARG 73 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1f6v h ARG 73 Cb 0.69 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1f6v h ARG 73 CO -0.39 0.32 0.00 0.94 -1.07 0.00 0.00 179.97 179.78 1f6v n GLN 74 N -4.84 0.01 -0.08 0.04 -0.06 -0.54 0.75 117.38 112.65 1f6v n GLN 74 Ca -0.02 0.44 -0.07 0.00 -2.00 0.00 0.00 57.00 55.35 1f6v n GLN 74 Cb 0.08 -1.52 -0.03 0.00 -4.06 0.00 0.00 30.24 24.71 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 -1.51 0.53 -0.93 1.69 0.00 0.36 -3.31 120.51 117.33 1f6v n ALA 75 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 1f6v n ALA 75 Cb 0.05 -0.03 0.21 0.00 0.00 0.00 0.00 19.45 19.67 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 -4.58 2.56 0.00 0.00 -1.74 -0.17 -4.44 117.46 109.09 1f6v n PHE 76 Ca -0.11 -1.47 0.00 0.00 -0.56 0.00 0.00 57.45 55.31 1f6v n PHE 76 Cb 0.33 -0.79 0.00 0.00 1.52 0.00 0.00 39.48 40.55 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 -0.63 0.00 0.26 3.97 5.12 0.23 -4.74 116.66 120.86 1f6v n ARG 77 Ca 0.47 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.52 1f6v n ARG 77 Cb 1.45 -0.22 0.69 0.00 -1.16 0.00 0.00 32.46 33.22 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 -1.43 -3.16 114.58 115.55 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 -0.23 1.28 -0.00 0.00 0.00 179.01 180.06 1f6v n LEU 79 N -2.57 0.45 0.00 3.06 4.32 -1.26 -5.06 117.00 115.94 1f6v n LEU 79 Ca -0.02 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1f6v n LEU 79 Cb 0.28 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1f6v n LEU 79 CO 0.11 -0.45 0.00 -0.90 -1.22 0.00 0.00 177.39 174.93 1f6v n ASP 80 N -2.95 0.00 -0.41 -1.43 5.68 -1.20 -4.97 116.55 111.27 1f6v n ASP 80 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1f6v n ASP 80 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -1.54 0.00 -2.12 4.77 -1.26 -4.93 117.00 111.91 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 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 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 1.06 0.00 0.00 -1.43 5.75 -1.26 -4.97 116.55 115.70 1f6v n ASP 82 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1f6v n ASP 82 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.00 0.00 0.05 2.12 0.24 -1.26 -4.91 118.33 114.57 1f6v n VAL 83 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1f6v n VAL 83 Cb 0.05 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.37 -0.39 -1.34 5.19 -1.93 -1.32 116.42 116.99 1f6v h ASP 84 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1f6v h ASP 84 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1f6v h ASP 84 CO 0.00 0.51 0.00 2.30 -3.12 0.00 0.00 179.24 178.93 1f6v n ILE 85 N -4.25 0.51 0.00 0.35 -0.00 -1.26 -4.78 119.36 109.93 1f6v n ILE 85 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 62.75 62.08 1f6v n ILE 85 Cb 0.28 0.70 0.00 0.00 -0.00 0.00 0.00 39.64 40.63 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 1.18 0.00 -0.06 7.28 3.41 -0.50 -4.76 113.62 120.17 1f6v n SER 86 Ca 0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.79 1f6v n SER 86 Cb 0.52 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.00 0.79 -2.53 6.66 -2.24 -1.26 -4.95 114.28 110.75 1f6v n THR 87 Ca 0.00 -0.70 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 1f6v n THR 87 Cb 0.00 -0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.01 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 -5.05 3.16 0.27 3.22 1.02 -1.26 -5.03 118.68 115.00 1f6v s LEU 88 Ca -0.09 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.15 1f6v s LEU 88 Cb 0.09 -2.90 0.00 0.00 0.02 0.00 0.00 46.19 43.40 1f6v s LEU 88 CO 0.85 -1.27 0.00 0.18 0.02 0.00 0.00 176.35 176.13 1f6v n LEU 89 N -2.49 -2.01 -0.32 1.79 4.32 -1.26 -4.66 117.00 112.37 1f6v n LEU 89 Ca 0.08 0.50 0.11 0.00 -0.02 0.00 0.00 56.01 56.69 1f6v n LEU 89 Cb 0.60 2.04 0.29 0.00 -1.62 0.00 0.00 43.42 44.73 1f6v n LEU 89 CO 0.47 -0.17 1.11 0.03 -1.22 0.00 0.00 177.39 177.61 1f6v h ARG 90 N 0.00 0.57 -0.03 3.23 3.08 -1.97 -3.48 114.38 115.79 1f6v h ARG 90 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1f6v h ARG 90 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1f6v h ARG 90 CO 0.00 0.38 0.00 0.27 -1.07 0.00 0.00 179.97 179.55