#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 1.34 -2.49 1.61 7.64 -1.26 -4.89 113.62 115.57 1f6v n SER 2 Ca 0.00 -2.54 -0.25 0.00 1.01 0.00 0.00 58.87 57.09 1f6v n SER 2 Cb 0.00 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 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 -0.03 2.54 -3.34 1.43 1.74 -1.26 -4.93 116.66 112.81 1f6v n ARG 3 Ca 0.11 -2.14 -0.37 0.00 -0.77 0.00 0.00 57.85 54.68 1f6v n ARG 3 Cb 1.00 -2.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.30 4.83 -0.18 0.55 -4.36 -1.26 -4.98 121.20 114.50 1f6v s ILE 4 Ca 0.61 0.99 -0.33 0.00 -0.26 0.00 0.00 60.65 61.65 1f6v s ILE 4 Cb 0.35 -3.80 -0.10 0.00 1.25 0.00 0.00 42.46 40.15 1f6v s ILE 4 CO -0.16 0.41 2.03 0.00 0.24 0.00 0.00 174.94 177.46 1f6v n ALA 5 N 1.29 1.10 -1.00 2.27 0.00 -1.26 -4.89 120.51 118.03 1f6v n ALA 5 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1f6v n ALA 5 Cb 0.51 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1f6v n ALA 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1f6v n LYS 6 N 7.46 0.00 0.00 0.00 3.00 -1.26 -4.59 118.16 122.77 1f6v n LYS 6 Ca 0.29 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 1f6v n LYS 6 Cb 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.45 1f6v n LYS 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1f6v n ARG 7 N -0.55 0.00 0.00 1.64 5.12 -1.26 -5.05 116.66 116.56 1f6v n ARG 7 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1f6v n ARG 7 Cb 0.00 -0.24 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 1f6v n ARG 7 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1f6v n THR 8 N -0.28 0.00 -1.54 0.55 5.66 -1.26 -5.11 114.28 112.29 1f6v n THR 8 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1f6v n THR 8 Cb 0.00 -0.04 0.19 0.00 -1.55 0.00 0.00 70.33 68.92 1f6v n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1f6v s ALA 9 N -2.00 1.58 -0.94 1.79 0.00 -1.24 -4.83 121.76 116.12 1f6v s ALA 9 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1f6v s ALA 9 Cb 0.00 -2.89 0.24 0.00 0.00 0.00 0.00 23.12 20.48 1f6v s ALA 9 CO 0.00 -2.76 0.92 -0.89 0.00 0.00 0.00 175.76 173.03 1f6v n ILE 10 N -4.09 3.51 -1.30 0.00 -0.00 0.23 -4.54 119.36 113.17 1f6v n ILE 10 Ca 0.12 -5.26 -0.17 0.00 -0.00 0.00 0.00 62.75 57.44 1f6v n ILE 10 Cb 0.59 -2.36 0.13 0.00 -0.00 0.00 0.00 39.64 38.00 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 2.15 -0.47 -3.93 4.38 4.05 0.10 -4.45 115.26 117.08 1f6v n ASN 11 Ca 0.23 -1.15 -0.33 0.00 0.45 0.00 0.00 54.58 53.78 1f6v n ASN 11 Cb 0.37 -0.58 -0.14 0.00 1.23 0.00 0.00 39.78 40.66 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 -2.86 0.00 -1.57 1.20 4.01 -1.26 -4.83 118.16 112.84 1f6v n LYS 12 Ca 0.09 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.58 1f6v n LYS 12 Cb 0.33 -1.23 0.06 0.00 -0.51 0.00 0.00 35.03 33.68 1f6v n LYS 12 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1f6v s THR 13 N 6.44 3.55 0.21 -0.18 2.01 -1.26 -4.72 115.64 121.70 1f6v s THR 13 Ca 1.18 0.59 -0.09 0.00 0.31 0.00 0.00 61.69 63.68 1f6v s THR 13 Cb -1.04 -3.15 0.16 0.00 0.01 0.00 0.00 72.50 68.49 1f6v s THR 13 CO 0.44 -0.58 1.73 0.11 -0.69 0.00 0.00 174.62 175.63 1f6v h LYS 14 N -0.52 0.37 0.14 4.92 1.57 -1.97 0.62 116.57 121.70 1f6v h LYS 14 Ca -0.45 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1f6v h LYS 14 Cb 1.23 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1f6v h LYS 14 CO 0.54 0.24 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.25 1f6v h LYS 15 N 0.38 -0.38 -1.00 3.15 3.64 -1.99 -1.27 116.57 119.10 1f6v h LYS 15 Ca 0.33 0.03 -0.31 0.00 -1.27 0.00 0.00 60.65 59.43 1f6v h LYS 15 Cb 0.44 0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 32.17 1f6v h LYS 15 CO -0.35 -0.25 0.39 0.00 -2.27 0.00 0.00 179.45 176.97 1f6v n ALA 16 N -2.48 4.33 0.06 5.00 0.00 -0.69 -4.26 120.51 122.46 1f6v n ALA 16 Ca -0.07 -1.70 -0.21 0.00 0.00 0.00 0.00 53.44 51.46 1f6v n ALA 16 Cb 0.24 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 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 0.59 0.51 1.01 0.00 3.58 0.15 -1.60 116.42 120.66 1f6v h ASP 17 Ca 0.38 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.89 1f6v h ASP 17 Cb 2.10 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.99 1f6v h ASP 17 CO 0.65 1.47 -0.06 0.52 -2.88 0.00 0.00 179.24 178.94 1f6v n VAL 18 N -4.04 0.09 -0.08 2.25 0.31 -1.26 -1.43 118.33 114.17 1f6v n VAL 18 Ca -0.16 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 63.91 1f6v n VAL 18 Cb 0.87 -0.43 -0.12 0.00 -0.91 0.00 0.00 33.84 33.25 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 -1.61 0.67 0.18 5.55 2.85 -1.24 -3.46 118.16 121.10 1f6v n LYS 19 Ca 0.07 0.27 0.07 0.00 -1.05 0.00 0.00 58.31 57.66 1f6v n LYS 19 Cb 0.35 -1.62 0.13 0.00 -0.65 0.00 0.00 35.03 33.24 1f6v n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f6v h ALA 20 N -0.18 0.83 0.00 0.58 0.00 -1.37 -1.17 119.26 117.96 1f6v h ALA 20 Ca -0.51 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 1f6v h ALA 20 Cb 1.83 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1f6v h ALA 20 CO -0.09 0.34 -0.59 0.82 0.00 0.00 0.00 179.25 179.73 1f6v h ILE 21 N 0.00 1.12 0.01 0.00 5.03 -1.41 0.25 117.51 122.50 1f6v h ILE 21 Ca -0.00 -2.30 -0.31 0.00 -0.12 0.00 0.00 64.86 62.12 1f6v h ILE 21 Cb 1.17 2.37 -0.05 0.00 -3.03 0.00 0.00 36.82 37.27 1f6v h ILE 21 CO 0.04 0.58 -1.87 0.00 -0.68 0.00 0.00 178.15 176.22 1f6v n ALA 22 N -2.29 1.46 0.42 1.87 0.00 -1.16 -4.17 120.51 116.64 1f6v n ALA 22 Ca 0.01 -0.87 0.11 0.00 0.00 0.00 0.00 53.44 52.68 1f6v n ALA 22 Cb 0.71 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1f6v n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f6v n ASP 23 N -3.01 0.59 -4.71 0.00 -0.08 -0.45 -4.61 116.55 104.28 1f6v n ASP 23 Ca -0.21 -0.08 -0.23 0.00 -1.51 0.00 0.00 54.79 52.76 1f6v n ASP 23 Cb 1.07 0.84 0.11 0.00 2.34 0.00 0.00 41.12 45.49 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 -3.26 3.95 0.00 -1.67 0.00 0.89 -1.82 121.76 119.85 1f6v s ALA 24 Ca 0.02 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1f6v s ALA 24 Cb 0.13 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1f6v s ALA 24 CO 0.81 -1.45 0.00 0.91 0.00 0.00 0.00 175.76 176.03 1f6v n TRP 25 N -2.78 0.00 -2.96 0.00 7.02 -1.26 -3.82 117.44 113.64 1f6v n TRP 25 Ca 0.17 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.23 1f6v n TRP 25 Cb 0.61 0.03 0.01 0.00 -2.42 0.00 0.00 31.31 29.53 1f6v n TRP 25 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1f6v n GLN 26 N 12.67 4.58 -0.01 -0.99 -0.06 -1.23 -4.63 117.38 127.72 1f6v n GLN 26 Ca 0.00 -4.58 0.10 0.00 -2.00 0.00 0.00 57.00 50.52 1f6v n GLN 26 Cb 0.00 -2.50 -0.14 0.00 -4.06 0.00 0.00 30.24 23.54 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 1.08 0.00 0.00 1.69 0.00 -1.25 -4.77 119.36 116.10 1f6v n ILE 27 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 62.75 62.73 1f6v n ILE 27 Cb 0.32 0.37 0.00 0.00 0.00 0.00 0.00 39.64 40.33 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 -1.95 0.00 0.00 9.51 5.15 -1.26 -4.54 115.26 122.17 1f6v n ASN 28 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 1f6v n ASN 28 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 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 -1.05 2.69 0.04 8.20 0.00 -1.26 -4.76 105.19 109.05 1f6v n GLY 29 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.48 2.68 0.02 1.61 2.13 -1.26 -3.98 120.64 121.37 1f6v n GLU 30 Ca 0.00 -0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1f6v n GLU 30 Cb 0.00 -1.20 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 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 0.04 0.13 5.31 6.56 -1.85 -3.17 116.57 123.58 1f6v h LYS 31 Ca -0.21 -0.06 -0.27 0.00 -1.06 0.00 0.00 60.65 59.05 1f6v h LYS 31 Cb 1.47 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.16 1f6v h LYS 31 CO 0.01 0.79 -1.24 1.05 -2.06 0.00 0.00 179.45 178.00 1f6v h GLU 32 N 0.01 0.27 0.00 3.15 -0.00 -1.61 -3.05 114.58 113.35 1f6v h GLU 32 Ca -0.17 -0.46 -0.02 0.00 -0.00 0.00 0.00 59.36 58.71 1f6v h GLU 32 Cb 1.92 0.17 -0.00 0.00 -0.00 0.00 0.00 28.75 30.84 1f6v h GLU 32 CO 0.11 1.22 -0.07 1.37 -0.00 0.00 0.00 179.01 181.64 1f6v h LEU 33 N 0.07 0.00 0.20 3.06 8.10 -1.69 -2.86 115.31 122.19 1f6v h LEU 33 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.85 1f6v h LEU 33 Cb 1.97 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.19 1f6v h LEU 33 CO 0.20 0.07 -0.10 -0.08 -4.11 0.00 0.00 178.44 174.43 1f6v h GLU 34 N 0.00 -0.26 -0.25 0.17 4.81 -1.50 0.23 114.58 117.79 1f6v h GLU 34 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1f6v h GLU 34 Cb 0.37 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 1f6v h GLU 34 CO 0.01 0.12 -0.38 1.25 -0.73 0.00 0.00 179.01 179.28 1f6v h LEU 35 N -0.70 -1.22 -2.03 1.64 7.12 -1.51 0.64 115.31 119.24 1f6v h LEU 35 Ca -0.03 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 1f6v h LEU 35 Cb 0.49 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1f6v h LEU 35 CO 0.04 -0.38 -0.09 0.25 -0.13 0.00 0.00 178.44 178.14 1f6v h LEU 36 N -0.38 0.00 -1.58 2.25 7.12 -1.56 0.73 115.31 121.90 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 -0.46 0.09 0.43 -0.61 -0.13 0.00 0.00 178.44 177.76 1f6v h GLN 37 N 0.00 0.00 0.00 1.25 4.15 0.38 -1.47 115.11 119.42 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 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1f6v h GLN 37 CO 0.01 0.00 -0.34 0.94 -1.93 0.00 0.00 178.83 177.51 1f6v n GLN 38 N -2.74 0.00 0.00 1.69 7.27 -0.50 -4.90 117.38 118.20 1f6v n GLN 38 Ca -0.02 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.36 1f6v n GLN 38 Cb 0.47 -0.35 0.00 0.00 2.41 0.00 0.00 30.24 32.77 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 0.00 1.24 1.69 -0.00 0.13 -4.31 119.36 118.12 1f6v n ILE 39 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.89 1f6v n ILE 39 Cb 0.64 -0.12 0.70 0.00 -0.00 0.00 0.00 39.64 40.86 1f6v n ILE 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1f6v n ALA 40 N -1.66 2.42 0.53 -1.39 0.00 -1.15 -1.63 120.51 117.62 1f6v n ALA 40 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1f6v n ALA 40 Cb 0.20 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.38 1.20 -1.77 0.00 6.02 -1.26 -4.46 117.38 115.73 1f6v n GLN 41 Ca 0.11 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1f6v n GLN 41 Cb 0.28 -1.32 0.07 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.61 1.36 0.00 -1.09 -0.00 -1.10 -4.97 118.16 110.75 1f6v n LYS 42 Ca 0.01 -3.02 0.00 0.00 -0.00 0.00 0.00 58.31 55.30 1f6v n LYS 42 Cb 0.32 -1.13 0.00 0.00 -0.00 0.00 0.00 35.03 34.22 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 -0.89 -1.58 -0.04 -0.65 0.75 135.00 132.28 1f6v n PRO 43 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1f6v n PRO 43 Cb 0.93 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 34.27 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 2.23 0.75 0.00 0.55 0.00 -1.26 0.01 105.19 107.47 1f6v n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.00 0.00 -0.34 4.61 0.00 -1.26 -4.38 120.51 120.14 1f6v n ALA 45 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1f6v n ALA 45 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 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 0.64 -0.41 0.00 7.12 -1.87 0.18 115.31 120.96 1f6v h LEU 46 Ca 0.00 0.15 0.08 0.00 0.13 0.00 0.00 57.88 58.24 1f6v h LEU 46 Cb 0.42 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1f6v h LEU 46 CO 0.00 0.05 -0.13 0.03 -0.13 0.00 0.00 178.44 178.27 1f6v h ARG 47 N 0.52 -0.03 -0.01 1.25 -0.00 -1.22 1.96 114.38 116.86 1f6v h ARG 47 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.15 1f6v h ARG 47 Cb 1.33 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.30 1f6v h ARG 47 CO -0.50 -0.02 -0.07 0.82 0.00 0.00 0.00 179.97 180.20 1f6v h ILE 48 N -0.03 0.00 0.00 2.04 2.04 -0.55 0.17 117.51 121.18 1f6v h ILE 48 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1f6v h ILE 48 Cb 0.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1f6v h ILE 48 CO -0.44 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.89 1f6v n LEU 49 N -2.89 0.00 0.04 1.44 4.32 -1.11 -2.71 117.00 116.10 1f6v n LEU 49 Ca -0.01 0.13 -0.02 0.00 -0.02 0.00 0.00 56.01 56.09 1f6v n LEU 49 Cb 0.05 -0.13 0.25 0.00 -1.62 0.00 0.00 43.42 41.97 1f6v n LEU 49 CO 0.01 -0.04 0.78 -1.13 -1.22 0.00 0.00 177.39 175.79 1f6v h ASN 50 N 0.00 0.41 -1.66 -1.43 -0.00 0.62 0.66 115.58 114.18 1f6v h ASN 50 Ca 0.00 -0.12 0.48 0.00 -0.00 0.00 0.00 56.30 56.66 1f6v h ASN 50 Cb 0.08 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.23 1f6v h ASN 50 CO 0.00 0.63 1.30 -0.74 -0.00 0.00 0.00 177.43 178.62 1f6v h HIS 51 N 0.38 0.00 0.00 0.67 2.76 -1.27 0.15 115.15 117.83 1f6v h HIS 51 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1f6v h HIS 51 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1f6v h HIS 51 CO 0.02 0.00 0.00 0.43 -1.30 0.00 0.00 177.93 177.08 1f6v n SER 52 N -3.81 0.27 0.11 3.26 7.64 -0.84 -4.60 113.62 115.65 1f6v n SER 52 Ca 0.37 -0.72 0.12 0.00 1.01 0.00 0.00 58.87 59.65 1f6v n SER 52 Cb 1.80 0.15 0.11 0.00 -1.01 0.00 0.00 64.21 65.26 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 -2.16 -3.43 4.07 0.31 -3.17 115.31 110.92 1f6v h LEU 53 Ca 0.00 -0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.90 1f6v h LEU 53 Cb 0.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1f6v h LEU 53 CO 0.00 0.04 0.29 -0.09 -1.08 0.00 0.00 178.44 177.60 1f6v h ARG 54 N 0.00 0.00 -0.68 1.13 2.43 -1.50 0.29 114.38 116.06 1f6v h ARG 54 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1f6v h ARG 54 Cb 0.89 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1f6v h ARG 54 CO 0.00 0.00 0.19 -0.07 -1.51 0.00 0.00 179.97 178.58 1f6v h LEU 55 N 0.00 0.99 -0.46 3.80 -0.00 -1.82 -2.99 115.31 114.82 1f6v h LEU 55 Ca 0.04 -0.19 0.18 0.00 -0.00 0.00 0.00 57.88 57.91 1f6v h LEU 55 Cb 0.61 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 40.94 1f6v h LEU 55 CO -0.00 0.94 0.26 0.00 -0.00 0.00 0.00 178.44 179.64 1f6v n ALA 56 N -2.45 0.47 -0.06 1.53 0.00 0.10 0.21 120.51 120.30 1f6v n ALA 56 Ca 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 1f6v n ALA 56 Cb 0.24 -0.44 -0.11 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 -2.66 1.75 -1.64 0.00 0.00 -1.18 -3.54 120.51 113.24 1f6v n ALA 57 Ca 0.16 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 1f6v n ALA 57 Cb 0.58 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.42 1.61 -0.20 0.00 0.00 0.56 -4.68 119.30 114.17 1f6v s MET 58 Ca -0.07 0.14 0.09 0.00 0.00 0.00 0.00 55.69 55.85 1f6v s MET 58 Cb 0.05 -4.87 0.57 0.00 0.00 0.00 0.00 34.83 30.57 1f6v s MET 58 CO 0.58 -4.60 1.45 -2.37 0.00 0.00 0.00 175.02 170.09 1f6v n THR 59 N 8.74 2.11 0.15 10.11 5.66 -1.26 -3.78 114.28 136.00 1f6v n THR 59 Ca 0.45 -1.08 0.02 0.00 -3.05 0.00 0.00 64.05 60.39 1f6v n THR 59 Cb 0.44 -0.40 0.02 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.22 2.45 -1.85 1.79 0.00 -1.26 -4.91 120.51 116.95 1f6v n ALA 60 Ca 0.25 -0.58 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1f6v n ALA 60 Cb 1.02 -0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.41 1.57 -0.87 0.00 5.04 -1.25 -4.68 115.29 114.69 1f6v s HIS 61 Ca 0.05 1.25 0.23 0.00 -1.54 0.00 0.00 55.06 55.06 1f6v s HIS 61 Cb 0.04 -3.74 0.94 0.00 0.04 0.00 0.00 32.58 29.86 1f6v s HIS 61 CO 0.05 -1.32 1.74 0.41 -2.34 0.00 0.00 174.74 173.28 1f6v n GLY 62 N 6.41 -1.36 0.35 1.59 0.00 -1.26 -3.19 105.19 107.73 1f6v n GLY 62 Ca 0.43 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1f6v n GLY 62 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1f6v h LYS 63 N 0.00 0.43 0.00 1.61 3.11 -2.03 -3.42 116.57 116.27 1f6v h LYS 63 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1f6v h LYS 63 Cb 0.45 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1f6v h LYS 63 CO 0.00 0.28 0.00 0.41 -2.81 0.00 0.00 179.45 177.33 1f6v n GLY 64 N -1.51 0.02 3.50 5.01 0.00 -1.19 -5.15 105.19 105.86 1f6v n GLY 64 Ca 0.09 0.73 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 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 0.67 0.00 1.61 4.04 -1.26 -4.59 118.70 119.18 1f6v s GLU 65 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 54.97 55.88 1f6v s GLU 65 Cb 0.00 0.29 0.00 0.00 0.02 0.00 0.00 34.13 34.44 1f6v s GLU 65 CO 0.00 -0.10 0.00 -2.13 -1.84 0.00 0.00 175.26 171.19 1f6v n ARG 66 N 3.04 3.31 -2.72 -4.83 0.63 -1.26 -5.01 116.66 109.81 1f6v n ARG 66 Ca -0.15 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.69 1f6v n ARG 66 Cb 0.56 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.55 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 0.29 -3.02 5.15 0.24 -1.26 -4.76 118.33 114.98 1f6v n VAL 67 Ca 0.00 -2.18 0.00 0.00 -2.04 0.00 0.00 64.34 60.12 1f6v n VAL 67 Cb 0.00 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 -0.27 0.00 -0.51 -1.34 5.15 -1.26 -4.88 115.26 112.15 1f6v n ASN 68 Ca 0.03 0.00 0.44 0.00 -0.60 0.00 0.00 54.58 54.45 1f6v n ASN 68 Cb 0.81 0.00 0.77 0.00 -0.53 0.00 0.00 39.78 40.84 1f6v n ASN 68 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1f6v h GLU 69 N 0.00 0.00 -0.06 1.20 4.11 -1.81 0.85 114.58 118.86 1f6v h GLU 69 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1f6v h GLU 69 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f6v h GLU 69 CO 0.00 0.00 -0.17 -0.44 0.07 0.00 0.00 179.01 178.47 1f6v h ASP 70 N 0.00 0.25 -0.52 3.06 3.32 -1.92 -3.25 116.42 117.36 1f6v h ASP 70 Ca 0.75 -0.61 0.10 0.00 0.02 0.00 0.00 57.03 57.29 1f6v h ASP 70 Cb 3.05 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 42.43 1f6v h ASP 70 CO -0.01 0.82 -0.14 0.00 -1.72 0.00 0.00 179.24 178.19 1f6v n TYR 71 N -4.58 0.16 0.09 4.55 9.36 0.29 0.97 117.16 128.00 1f6v n TYR 71 Ca -0.08 0.64 -0.12 0.00 3.32 0.00 0.00 57.90 61.66 1f6v n TYR 71 Cb 0.41 -0.79 -0.05 0.00 -0.63 0.00 0.00 39.34 38.28 1f6v n TYR 71 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1f6v h LEU 72 N 0.00 -0.70 -0.35 2.98 3.38 -1.59 1.43 115.31 120.46 1f6v h LEU 72 Ca 0.24 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1f6v h LEU 72 Cb 0.37 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1f6v h LEU 72 CO -0.54 -0.32 0.00 0.54 0.09 0.00 0.00 178.44 178.21 1f6v n ARG 73 N -5.36 0.13 0.00 1.13 1.74 0.27 -1.06 116.66 113.51 1f6v n ARG 73 Ca -0.06 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1f6v n ARG 73 Cb 0.27 -1.72 0.14 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.96 1.66 -0.10 5.56 -0.06 0.39 -2.62 117.38 120.25 1f6v n GLN 74 Ca 0.03 -1.30 -0.14 0.00 -2.00 0.00 0.00 57.00 53.59 1f6v n GLN 74 Cb 0.24 -1.47 -0.05 0.00 -4.06 0.00 0.00 30.24 24.90 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 0.46 0.92 -1.01 1.69 0.00 0.46 -3.52 120.51 119.51 1f6v n ALA 75 Ca 0.13 -0.84 -0.23 0.00 0.00 0.00 0.00 53.44 52.49 1f6v n ALA 75 Cb 0.49 0.04 0.14 0.00 0.00 0.00 0.00 19.45 20.12 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 -4.42 2.72 0.00 0.00 -1.74 -0.44 -4.40 117.46 109.18 1f6v n PHE 76 Ca -0.24 -1.94 0.00 0.00 -0.56 0.00 0.00 57.45 54.72 1f6v n PHE 76 Cb 0.59 -0.97 0.00 0.00 1.52 0.00 0.00 39.48 40.62 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 -0.87 0.00 0.30 3.97 0.63 -1.17 -4.76 116.66 114.76 1f6v n ARG 77 Ca 0.53 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.59 1f6v n ARG 77 Cb 1.32 -0.05 0.68 0.00 0.45 0.00 0.00 32.46 34.87 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 -1.54 -3.14 114.58 109.76 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 -0.33 1.28 -0.00 0.00 0.00 179.01 179.96 1f6v n LEU 79 N -2.68 0.69 0.00 3.06 4.32 -1.26 -5.07 117.00 116.06 1f6v n LEU 79 Ca -0.02 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1f6v n LEU 79 Cb 0.39 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1f6v n LEU 79 CO 0.11 -0.44 0.00 -0.90 -1.22 0.00 0.00 177.39 174.95 1f6v n ASP 80 N -3.19 0.00 -0.98 -1.43 5.75 -1.19 -4.98 116.55 110.52 1f6v n ASP 80 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1f6v n ASP 80 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1f6v n ASP 80 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1f6v n LEU 81 N 0.00 -1.31 0.00 -2.12 4.77 -1.26 -4.90 117.00 112.18 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 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 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 -0.98 0.00 0.00 -1.43 5.68 -1.26 -4.99 116.55 113.56 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 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.27 0.00 -0.25 2.12 0.31 -1.26 -4.78 118.33 114.20 1f6v n VAL 83 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1f6v n VAL 83 Cb 0.00 -0.17 0.23 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.91 1.42 4.52 5.19 -1.94 0.74 116.42 127.26 1f6v h ASP 84 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1f6v h ASP 84 Cb 0.00 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1f6v h ASP 84 CO 0.00 0.65 0.00 0.40 -3.12 0.00 0.00 179.24 177.17 1f6v h ILE 85 N 1.07 0.00 0.00 0.35 1.08 -1.86 -3.44 117.51 114.71 1f6v h ILE 85 Ca 0.30 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1f6v h ILE 85 Cb -0.08 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1f6v h ILE 85 CO -0.07 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.15 1f6v n SER 86 N -2.44 0.00 -0.08 1.72 2.88 0.25 -4.92 113.62 111.02 1f6v n SER 86 Ca 0.04 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 1f6v n SER 86 Cb 0.41 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.71 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 1.15 -1.70 2.46 -1.04 -1.26 -4.87 114.28 109.01 1f6v n THR 87 Ca 0.00 -0.79 -0.43 0.00 -2.04 0.00 0.00 64.05 60.79 1f6v n THR 87 Cb 0.00 -0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.09 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 -5.31 3.54 0.00 -4.42 1.02 -1.26 -4.86 118.68 107.40 1f6v s LEU 88 Ca -0.10 1.83 0.00 0.00 0.02 0.00 0.00 54.13 55.89 1f6v s LEU 88 Cb 0.07 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1f6v s LEU 88 CO 0.83 -1.82 0.00 0.00 0.02 0.00 0.00 176.35 175.38 1f6v n LEU 89 N 11.00 0.00 0.00 1.79 -0.00 -1.26 -4.41 117.00 124.13 1f6v n LEU 89 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1f6v n LEU 89 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 1f6v n LEU 89 CO 0.67 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.92 1f6v n ARG 90 N -0.33 0.00 0.00 1.47 0.63 -1.26 -5.21 116.66 111.96 1f6v n ARG 90 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 1f6v n ARG 90 Cb 0.00 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.23 1f6v n ARG 90 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39