#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqi s VAL 2 N 0.00 0.03 -0.29 1.12 -7.23 -1.25 -2.62 120.40 110.17 1lqi s VAL 2 Ca 0.00 -0.26 -0.14 0.00 -1.81 0.00 0.00 61.98 59.77 1lqi s VAL 2 Cb 0.00 -0.62 0.11 0.00 0.56 0.00 0.00 36.38 36.43 1lqi s VAL 2 CO 0.00 -0.14 0.72 0.00 -0.31 0.00 0.00 175.10 175.37 1lqi s ARG 3 N -0.74 0.61 -0.28 4.82 1.70 0.13 -4.79 118.95 120.40 1lqi s ARG 3 Ca -0.08 1.22 -0.20 0.00 -0.47 0.00 0.00 55.73 56.20 1lqi s ARG 3 Cb -0.04 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1lqi s ARG 3 CO 0.03 -0.16 0.60 -0.51 -1.08 0.00 0.00 175.30 174.18 1lqi s ASP 4 N 2.07 6.51 0.30 -2.89 1.01 -1.26 -1.31 116.67 121.10 1lqi s ASP 4 Ca -0.08 0.55 -0.17 0.00 0.71 0.00 0.00 52.55 53.56 1lqi s ASP 4 Cb -0.07 -2.32 0.06 0.00 1.01 0.00 0.00 42.92 41.60 1lqi s ASP 4 CO -0.19 -0.39 0.86 0.00 0.21 0.00 0.00 175.17 175.66 1lqi n ALA 5 N 5.72 -2.08 -2.52 5.23 0.00 -1.01 -4.95 120.51 120.91 1lqi n ALA 5 Ca -0.02 -1.14 -0.40 0.00 0.00 0.00 0.00 53.44 51.88 1lqi n ALA 5 Cb 0.49 0.81 -0.03 0.00 0.00 0.00 0.00 19.45 20.72 1lqi n ALA 5 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lqi s TYR 6 N -2.31 2.41 0.15 0.00 1.51 -1.26 -2.10 117.35 115.75 1lqi s TYR 6 Ca 0.18 -0.54 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1lqi s TYR 6 Cb -0.04 -4.64 -0.17 0.00 -0.11 0.00 0.00 41.96 37.00 1lqi s TYR 6 CO 0.09 -1.97 0.63 1.51 -1.11 0.00 0.00 175.55 174.70 1lqi n ILE 7 N 6.82 1.47 -3.89 2.71 3.06 -1.20 -1.56 119.36 126.77 1lqi n ILE 7 Ca 0.26 -0.37 -0.23 0.00 -2.50 0.00 0.00 62.75 59.91 1lqi n ILE 7 Cb 0.50 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.63 1lqi n ILE 7 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1lqi s ALA 8 N -0.74 3.77 0.00 1.51 0.00 -1.05 -3.13 121.76 122.13 1lqi s ALA 8 Ca 0.68 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1lqi s ALA 8 Cb -0.98 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1lqi s ALA 8 CO 0.54 -0.16 0.00 1.17 0.00 0.00 0.00 175.76 177.31 1lqi n LYS 9 N -1.35 2.23 0.00 0.00 0.00 0.16 -4.81 118.16 114.39 1lqi n LYS 9 Ca 0.01 0.00 0.22 0.00 0.00 0.00 0.00 58.31 58.53 1lqi n LYS 9 Cb 0.63 0.00 0.72 0.00 0.00 0.00 0.00 35.03 36.38 1lqi n LYS 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1lqi h ASN 10 N 0.00 0.00 -0.99 3.14 4.21 -1.99 0.24 115.58 120.19 1lqi h ASN 10 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 1lqi h ASN 10 Cb 0.00 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 36.91 1lqi h ASN 10 CO 0.00 0.00 0.80 -1.22 -1.29 0.00 0.00 177.43 175.72 1lqi n TYR 11 N -4.13 3.15 -2.20 1.19 4.01 -1.26 -4.73 117.16 113.18 1lqi n TYR 11 Ca 0.10 -2.66 0.00 0.00 -0.16 0.00 0.00 57.90 55.19 1lqi n TYR 11 Cb 0.66 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 1lqi n TYR 11 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1lqi n ASN 12 N -0.96 -0.83 -4.90 7.72 5.15 0.85 -0.72 115.26 121.56 1lqi n ASN 12 Ca 0.61 0.41 -0.25 0.00 -0.60 0.00 0.00 54.58 54.76 1lqi n ASN 12 Cb 0.96 -0.87 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 1lqi n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lqi s VAL 14 N -1.80 4.20 -1.11 0.00 -7.23 -1.26 0.39 120.40 113.59 1lqi s VAL 14 Ca 0.33 0.82 -0.21 0.00 -1.81 0.00 0.00 61.98 61.11 1lqi s VAL 14 Cb -0.10 -3.54 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1lqi s VAL 14 CO 0.27 -0.83 1.59 -0.31 -0.31 0.00 0.00 175.10 175.50 1lqi s TYR 15 N -2.90 2.55 0.04 2.82 2.02 -1.18 -4.81 117.35 115.89 1lqi s TYR 15 Ca 0.59 -0.97 -0.36 0.00 -0.37 0.00 0.00 57.07 55.95 1lqi s TYR 15 Cb -0.13 -4.66 -0.15 0.00 -0.40 0.00 0.00 41.96 36.61 1lqi s TYR 15 CO 0.48 -1.86 1.51 -0.85 -1.57 0.00 0.00 175.55 173.26 1lqi n GLU 16 N 8.71 1.50 -0.96 -0.62 0.28 -1.25 -3.93 120.64 124.37 1lqi n GLU 16 Ca 0.39 0.54 0.00 0.00 -0.16 0.00 0.00 57.16 57.93 1lqi n GLU 16 Cb 0.49 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 31.12 1lqi n GLU 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1lqi n PHE 18 N 0.00 0.00 -4.42 0.00 7.35 -1.26 -4.93 117.46 114.20 1lqi n PHE 18 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1lqi n PHE 18 Cb 0.00 0.02 -0.10 0.00 0.35 0.00 0.00 39.48 39.75 1lqi n PHE 18 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1lqi s ARG 19 N -1.48 1.61 0.50 -4.13 3.00 -1.26 -5.02 118.95 112.16 1lqi s ARG 19 Ca 0.00 -1.89 0.23 0.00 0.00 0.00 0.00 55.73 54.06 1lqi s ARG 19 Cb 0.00 -0.68 1.31 0.00 0.00 0.00 0.00 34.95 35.58 1lqi s ARG 19 CO 0.00 -0.24 2.05 -0.44 0.00 0.00 0.00 175.30 176.67 1lqi h ASP 20 N 2.16 0.00 -0.22 0.23 3.32 -1.94 -2.75 116.42 117.22 1lqi h ASP 20 Ca -0.40 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1lqi h ASP 20 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1lqi h ASP 20 CO 0.66 0.14 0.03 0.00 -1.72 0.00 0.00 179.24 178.35 1lqi h ALA 21 N 1.86 0.22 -0.02 3.45 0.00 -1.95 -2.41 119.26 120.41 1lqi h ALA 21 Ca -0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1lqi h ALA 21 Cb 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1lqi h ALA 21 CO 0.02 -0.40 -0.15 -0.92 0.00 0.00 0.00 179.25 177.80 1lqi h TYR 22 N 0.11 -0.44 -0.95 0.00 3.20 -1.88 -2.26 116.97 114.75 1lqi h TYR 22 Ca 0.10 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.12 1lqi h TYR 22 Cb 0.11 0.19 -0.14 0.00 1.54 0.00 0.00 36.73 38.43 1lqi h TYR 22 CO -0.16 -0.15 -0.44 0.00 -1.64 0.00 0.00 178.16 175.76 1lqi h ASN 24 N -0.02 -0.76 -0.41 0.00 -1.24 -0.91 0.38 115.58 112.62 1lqi h ASN 24 Ca 0.28 0.25 -0.09 0.00 0.71 0.00 0.00 56.30 57.45 1lqi h ASN 24 Cb 0.54 0.51 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 1lqi h ASN 24 CO -0.94 -0.27 -0.05 -0.08 -1.29 0.00 0.00 177.43 174.79 1lqi h GLU 25 N 0.00 0.83 0.01 6.67 4.81 0.12 -2.65 114.58 124.38 1lqi h GLU 25 Ca 0.40 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1lqi h GLU 25 Cb 0.62 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1lqi h GLU 25 CO -0.85 0.87 -0.00 1.25 -0.73 0.00 0.00 179.01 179.54 1lqi h LEU 26 N 0.76 -0.01 -0.96 1.64 5.85 0.83 -0.97 115.31 122.46 1lqi h LEU 26 Ca 0.14 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1lqi h LEU 26 Cb 0.53 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.42 1lqi h LEU 26 CO 0.03 -0.00 -0.45 0.00 -0.34 0.00 0.00 178.44 177.68 1lqi h THR 28 N 0.00 1.17 -0.72 0.00 1.35 -1.57 -0.90 112.91 112.24 1lqi h THR 28 Ca 0.26 -0.39 0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1lqi h THR 28 Cb 0.51 -0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 66.83 1lqi h THR 28 CO -0.93 0.21 0.48 0.11 -0.25 0.00 0.00 175.52 175.13 1lqi h LYS 29 N 1.13 0.88 0.00 4.72 1.79 0.23 -0.59 116.57 124.73 1lqi h LYS 29 Ca 0.34 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1lqi h LYS 29 Cb -0.02 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.43 1lqi h LYS 29 CO -0.09 0.59 0.00 0.09 -1.08 0.00 0.00 179.45 178.95 1lqi n ASN 30 N -4.45 0.78 0.00 0.86 3.02 -0.47 -4.85 115.26 110.16 1lqi n ASN 30 Ca 0.09 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1lqi n ASN 30 Cb 0.09 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1lqi n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqi n GLY 31 N 0.82 1.74 0.00 7.41 0.00 -0.23 -4.61 105.19 110.33 1lqi n GLY 31 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1lqi n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqi n ALA 32 N -0.81 0.00 -0.12 4.61 0.00 -0.42 -3.95 120.51 119.82 1lqi n ALA 32 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1lqi n ALA 32 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1lqi n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lqi n SER 33 N -1.72 1.93 -3.61 0.00 3.41 -1.09 -4.47 113.62 108.07 1lqi n SER 33 Ca 0.00 0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.90 1lqi n SER 33 Cb 0.00 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 1lqi n SER 33 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1lqi s SER 34 N -6.94 -0.27 0.22 4.04 0.01 -1.26 -4.67 113.70 104.82 1lqi s SER 34 Ca -0.34 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1lqi s SER 34 Cb 0.10 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 1lqi s SER 34 CO 0.48 -0.20 0.03 -0.83 0.41 0.00 0.00 173.24 173.13 1lqi s GLY 35 N -0.71 1.48 0.06 3.44 0.00 -1.26 -1.29 107.32 109.05 1lqi s GLY 35 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1lqi s GLY 35 CO -0.04 -1.59 -0.05 -2.52 0.00 0.00 0.00 173.10 168.90 1lqi s TYR 36 N -3.62 0.64 0.43 1.90 -0.85 -0.58 -2.61 117.35 112.67 1lqi s TYR 36 Ca 0.30 -0.89 -0.18 0.00 -0.52 0.00 0.00 57.07 55.77 1lqi s TYR 36 Cb 0.07 -0.42 -0.10 0.00 0.38 0.00 0.00 41.96 41.89 1lqi s TYR 36 CO 0.08 -0.24 0.91 0.00 -1.52 0.00 0.00 175.55 174.78 1lqi s GLN 38 N -3.38 1.95 0.50 0.00 2.00 -0.72 -4.76 119.66 115.25 1lqi s GLN 38 Ca 0.59 -2.82 -0.22 0.00 -2.00 0.00 0.00 55.36 50.91 1lqi s GLN 38 Cb -0.09 -2.92 -0.07 0.00 0.80 0.00 0.00 33.01 30.73 1lqi s GLN 38 CO 0.19 -1.25 1.17 -1.58 -0.50 0.00 0.00 175.29 173.31 1lqi s TRP 39 N -0.74 2.76 0.30 1.67 0.23 -1.26 -1.73 118.94 120.17 1lqi s TRP 39 Ca 0.24 1.53 0.00 0.00 -2.03 0.00 0.00 56.10 55.84 1lqi s TRP 39 Cb -0.10 -3.38 0.00 0.00 0.03 0.00 0.00 33.47 30.02 1lqi s TRP 39 CO -0.12 -1.63 0.00 0.00 0.96 0.00 0.00 176.95 176.16 1lqi n ALA 40 N -0.83 -2.13 0.00 0.98 0.00 0.28 -4.88 120.51 113.94 1lqi n ALA 40 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1lqi n ALA 40 Cb 0.49 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1lqi n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqi n GLY 41 N 0.82 -0.23 0.26 0.00 0.00 -1.20 -4.72 105.19 100.13 1lqi n GLY 41 Ca 0.00 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1lqi n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lqi h LYS 42 N 1.32 0.00 -0.48 1.61 1.57 -1.97 -1.70 116.57 116.92 1lqi h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lqi h LYS 42 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1lqi h LYS 42 CO 0.00 0.12 0.00 2.48 -0.57 0.00 0.00 179.45 181.48 1lqi n TYR 43 N -3.57 0.65 0.00 -1.35 0.18 -1.26 -5.04 117.16 106.76 1lqi n TYR 43 Ca -0.02 -0.49 0.00 0.00 1.88 0.00 0.00 57.90 59.28 1lqi n TYR 43 Cb 0.26 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.20 1lqi n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1lqi n GLY 44 N 0.95 1.46 3.32 -7.48 0.00 -0.64 -3.95 105.19 98.85 1lqi n GLY 44 Ca 0.16 0.23 -0.47 0.00 0.00 0.00 0.00 46.02 45.95 1lqi n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lqi s ASN 45 N -4.00 6.58 0.00 1.61 0.02 -1.26 0.10 114.94 117.99 1lqi s ASN 45 Ca 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 52.86 49.43 1lqi s ASN 45 Cb 0.00 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 39.06 1lqi s ASN 45 CO 0.00 -0.66 0.00 0.00 0.02 0.00 0.00 177.10 176.46 1lqi n ALA 46 N 4.38 0.00 -3.44 0.60 0.00 -0.71 -3.88 120.51 117.46 1lqi n ALA 46 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 1lqi n ALA 46 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1lqi n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqi s TRP 48 N 2.66 2.98 -0.13 0.00 -0.11 0.51 -3.20 118.94 121.65 1lqi s TRP 48 Ca 0.08 0.14 -0.13 0.00 1.22 0.00 0.00 56.10 57.42 1lqi s TRP 48 Cb -0.14 -3.68 -0.05 0.00 -1.50 0.00 0.00 33.47 28.10 1lqi s TRP 48 CO -0.16 -1.01 0.28 0.00 -4.62 0.00 0.00 176.95 171.45 1lqi s TYR 50 N -0.01 3.47 -1.40 0.00 2.02 -0.41 -2.40 117.35 118.61 1lqi s TYR 50 Ca 0.17 0.80 -0.15 0.00 -0.37 0.00 0.00 57.07 57.52 1lqi s TYR 50 Cb -0.13 -2.23 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 1lqi s TYR 50 CO 0.05 0.11 0.31 0.00 -1.57 0.00 0.00 175.55 174.45 1lqi n ALA 51 N -0.92 -2.27 -2.14 3.71 0.00 -1.26 -2.67 120.51 114.97 1lqi n ALA 51 Ca -0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1lqi n ALA 51 Cb 0.54 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1lqi n ALA 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1lqi s LEU 52 N -7.41 4.51 0.47 0.00 2.96 -0.43 -3.32 118.68 115.46 1lqi s LEU 52 Ca 0.21 1.92 -0.25 0.00 -0.22 0.00 0.00 54.13 55.80 1lqi s LEU 52 Cb -0.12 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1lqi s LEU 52 CO 0.98 -0.10 1.41 -2.16 -1.32 0.00 0.00 176.35 175.16 1lqi s PRO 53 N -0.26 3.59 0.00 0.98 0.04 -1.25 0.21 135.00 138.30 1lqi s PRO 53 Ca 0.47 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1lqi s PRO 53 Cb -0.26 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1lqi s PRO 53 CO 0.32 -0.88 0.91 -0.25 0.04 0.00 0.00 177.00 177.14 1lqi n ASP 54 N -0.34 0.00 -0.89 6.66 9.92 -1.08 -1.71 116.55 129.11 1lqi n ASP 54 Ca 0.06 0.41 0.03 0.00 -0.53 0.00 0.00 54.79 54.76 1lqi n ASP 54 Cb 0.42 -0.41 0.13 0.00 -0.64 0.00 0.00 41.12 40.63 1lqi n ASP 54 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1lqi n ASN 55 N -1.41 2.40 -3.89 -2.24 0.23 -1.26 -4.76 115.26 104.34 1lqi n ASN 55 Ca 0.00 -2.26 -0.22 0.00 -0.53 0.00 0.00 54.58 51.57 1lqi n ASN 55 Cb 0.00 -0.49 -0.17 0.00 -2.08 0.00 0.00 39.78 37.04 1lqi n ASN 55 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1lqi s VAL 56 N -1.62 0.63 0.48 3.53 1.01 -0.69 -5.13 120.40 118.61 1lqi s VAL 56 Ca 0.18 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1lqi s VAL 56 Cb 0.13 -0.66 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1lqi s VAL 56 CO 0.07 0.26 1.03 -2.16 0.00 0.00 0.00 175.10 174.30 1lqi s PRO 57 N 1.17 3.82 0.20 2.72 0.04 -1.26 -4.93 135.00 136.76 1lqi s PRO 57 Ca -0.07 1.34 0.11 0.00 0.04 0.00 0.00 61.00 62.42 1lqi s PRO 57 Cb -0.14 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1lqi s PRO 57 CO -0.01 -0.41 -0.21 0.96 0.04 0.00 0.00 177.00 177.36 1lqi s ILE 58 N -2.00 2.20 -0.65 0.56 -5.25 -1.26 -2.51 121.20 112.28 1lqi s ILE 58 Ca 0.67 -2.09 -0.39 0.00 -0.99 0.00 0.00 60.65 57.86 1lqi s ILE 58 Cb -0.16 -2.08 -0.19 0.00 2.95 0.00 0.00 42.46 42.98 1lqi s ILE 58 CO 0.20 -0.26 2.33 -1.14 -1.79 0.00 0.00 174.94 174.28 1lqi n ARG 59 N 0.06 0.10 -2.79 0.37 3.00 -0.60 -4.63 116.66 112.16 1lqi n ARG 59 Ca -0.11 0.02 -0.26 0.00 -0.00 0.00 0.00 57.85 57.50 1lqi n ARG 59 Cb 0.57 -1.61 0.01 0.00 0.00 0.00 0.00 32.46 31.43 1lqi n ARG 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1lqi s VAL 60 N 7.21 4.54 -0.89 5.15 -7.23 -1.26 -4.92 120.40 123.00 1lqi s VAL 60 Ca 1.24 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 61.07 1lqi s VAL 60 Cb -1.35 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 31.85 1lqi s VAL 60 CO 0.58 -0.63 1.87 -2.16 -0.31 0.00 0.00 175.10 174.45 1lqi s PRO 61 N -4.67 2.70 0.00 4.82 0.04 -1.26 -4.34 135.00 132.29 1lqi s PRO 61 Ca 0.47 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1lqi s PRO 61 Cb -0.10 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1lqi s PRO 61 CO 0.42 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.71 1lqi n GLY 62 N 6.75 -1.87 1.13 0.56 0.00 -1.26 -5.18 105.19 105.32 1lqi n GLY 62 Ca 0.37 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 47.10 1lqi n GLY 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lqi n LYS 63 N 0.00 0.28 -4.10 1.61 3.00 -1.26 -5.18 118.16 112.51 1lqi n LYS 63 Ca 0.00 -0.58 -0.08 0.00 -0.00 0.00 0.00 58.31 57.65 1lqi n LYS 63 Cb 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 35.03 35.67 1lqi n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40