#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 0.08 -0.29 2.03 -7.23 -1.26 -3.22 120.40 110.51 1lqi s VAL 2 Ca 0.00 -0.64 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 1lqi s VAL 2 Cb 0.00 -1.12 0.12 0.00 0.56 0.00 0.00 36.38 35.94 1lqi s VAL 2 CO 0.00 -0.35 0.76 0.00 -0.31 0.00 0.00 175.10 175.19 1lqi s ARG 3 N -3.39 0.57 -0.36 4.82 1.70 0.16 -4.80 118.95 117.63 1lqi s ARG 3 Ca 0.01 1.15 -0.16 0.00 -0.47 0.00 0.00 55.73 56.25 1lqi s ARG 3 Cb 0.01 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1lqi s ARG 3 CO -0.09 -0.15 0.42 -0.51 -1.08 0.00 0.00 175.30 173.89 1lqi s ASP 4 N 2.07 6.22 0.27 -2.89 1.01 -1.26 -1.36 116.67 120.72 1lqi s ASP 4 Ca -0.08 -0.29 -0.09 0.00 0.71 0.00 0.00 52.55 52.80 1lqi s ASP 4 Cb -0.07 -2.22 0.04 0.00 1.01 0.00 0.00 42.92 41.68 1lqi s ASP 4 CO -0.19 -0.44 0.53 0.00 0.21 0.00 0.00 175.17 175.29 1lqi n ALA 5 N 5.54 -1.14 -2.54 5.23 0.00 -0.94 -4.94 120.51 121.72 1lqi n ALA 5 Ca -0.07 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 1lqi n ALA 5 Cb 0.49 0.72 -0.03 0.00 0.00 0.00 0.00 19.45 20.63 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 -4.18 2.49 0.19 0.00 1.51 -1.26 -2.08 117.35 114.02 1lqi s TYR 6 Ca 0.12 -0.73 -0.29 0.00 -1.01 0.00 0.00 57.07 55.16 1lqi s TYR 6 Cb -0.03 -4.67 -0.17 0.00 -0.11 0.00 0.00 41.96 36.98 1lqi s TYR 6 CO 0.09 -1.95 0.61 1.51 -1.11 0.00 0.00 175.55 174.70 1lqi n ILE 7 N 6.88 1.85 -4.11 2.71 3.06 -1.25 -0.65 119.36 127.86 1lqi n ILE 7 Ca 0.31 -0.46 -0.17 0.00 -2.50 0.00 0.00 62.75 59.93 1lqi n ILE 7 Cb 0.51 -0.10 -0.15 0.00 0.54 0.00 0.00 39.64 40.44 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 -0.93 0.44 0.00 1.51 0.00 -1.04 -2.99 121.76 118.75 1lqi s ALA 8 Ca 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1lqi s ALA 8 Cb -0.93 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1lqi s ALA 8 CO 0.56 0.05 0.00 0.36 0.00 0.00 0.00 175.76 176.73 1lqi n LYS 9 N 3.39 3.98 0.00 0.00 2.85 -0.20 -4.43 118.16 123.75 1lqi n LYS 9 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1lqi n LYS 9 Cb 0.55 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1lqi n LYS 9 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1lqi n ASN 10 N 0.00 0.00 -3.39 -5.58 0.23 -1.26 -0.89 115.26 104.37 1lqi n ASN 10 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.73 1lqi n ASN 10 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1lqi n ASN 10 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1lqi n TYR 11 N 0.00 3.41 -1.48 -2.53 4.02 -1.26 -4.82 117.16 114.50 1lqi n TYR 11 Ca 0.00 -3.56 -0.07 0.00 -0.01 0.00 0.00 57.90 54.26 1lqi n TYR 11 Cb 0.00 -0.76 -0.02 0.00 -0.02 0.00 0.00 39.34 38.54 1lqi n TYR 11 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1lqi n ASN 12 N 0.38 -3.44 -4.85 7.72 5.15 -0.07 -2.35 115.26 117.79 1lqi n ASN 12 Ca 0.33 0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 54.05 1lqi n ASN 12 Cb 0.36 -1.93 -0.06 0.00 -0.53 0.00 0.00 39.78 37.63 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 -1.00 2.51 -1.13 0.00 -7.23 -1.26 -1.03 120.40 111.27 1lqi s VAL 14 Ca 0.19 0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.34 1lqi s VAL 14 Cb -0.14 -2.64 0.10 0.00 0.56 0.00 0.00 36.38 34.26 1lqi s VAL 14 CO 0.08 -0.22 1.46 -0.31 -0.31 0.00 0.00 175.10 175.80 1lqi s TYR 15 N -2.93 2.97 0.02 2.82 1.51 -1.16 -4.75 117.35 115.82 1lqi s TYR 15 Ca 0.64 -1.51 -0.38 0.00 -1.01 0.00 0.00 57.07 54.81 1lqi s TYR 15 Cb -0.18 -4.53 -0.18 0.00 -0.11 0.00 0.00 41.96 36.96 1lqi s TYR 15 CO 0.57 -1.67 1.27 0.39 -1.11 0.00 0.00 175.55 175.00 1lqi n GLU 16 N 7.43 0.69 -3.20 -0.62 -0.58 -1.26 -3.97 120.64 119.13 1lqi n GLU 16 Ca 0.36 0.25 -0.14 0.00 -0.42 0.00 0.00 57.16 57.22 1lqi n GLU 16 Cb 0.47 -1.84 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 1lqi n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lqi n PHE 18 N -0.52 0.00 -3.79 0.00 -0.00 -1.26 -4.95 117.46 106.94 1lqi n PHE 18 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.27 1lqi n PHE 18 Cb 0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.70 1lqi n PHE 18 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lqi s ARG 19 N -1.91 0.76 0.54 -4.13 0.52 -1.26 -5.01 118.95 108.46 1lqi s ARG 19 Ca 0.00 -0.55 0.38 0.00 -0.52 0.00 0.00 55.73 55.03 1lqi s ARG 19 Cb 0.00 0.32 1.57 0.00 0.52 0.00 0.00 34.95 37.36 1lqi s ARG 19 CO 0.00 -0.23 1.78 -0.44 0.02 0.00 0.00 175.30 176.43 1lqi h ASP 20 N 3.33 0.00 -0.49 0.23 5.19 -1.92 0.11 116.42 122.87 1lqi h ASP 20 Ca -0.32 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.13 1lqi h ASP 20 Cb 1.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 1lqi h ASP 20 CO 0.47 0.00 0.25 0.00 -3.12 0.00 0.00 179.24 176.84 1lqi h ALA 21 N 1.37 0.63 -0.04 3.45 0.00 -1.95 -2.80 119.26 119.93 1lqi h ALA 21 Ca 0.60 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.53 1lqi h ALA 21 Cb 2.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 1lqi h ALA 21 CO -0.01 -0.10 -0.07 -0.92 0.00 0.00 0.00 179.25 178.15 1lqi h TYR 22 N 0.49 -0.22 -0.62 0.00 3.20 -1.14 -2.15 116.97 116.53 1lqi h TYR 22 Ca 0.22 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.19 1lqi h TYR 22 Cb 0.12 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 38.38 1lqi h TYR 22 CO -0.10 -0.07 -0.41 0.00 -1.64 0.00 0.00 178.16 175.94 1lqi h ASN 24 N -0.19 0.01 0.11 0.00 -1.24 -1.09 0.75 115.58 113.93 1lqi h ASN 24 Ca 0.20 0.23 -0.17 0.00 0.71 0.00 0.00 56.30 57.27 1lqi h ASN 24 Cb 0.56 0.30 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 1lqi h ASN 24 CO -0.71 -0.25 -0.61 -0.33 -1.29 0.00 0.00 177.43 174.24 1lqi h GLU 25 N 0.14 0.50 0.00 6.67 5.08 0.02 -2.62 114.58 124.36 1lqi h GLU 25 Ca 0.64 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1lqi h GLU 25 Cb 1.41 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1lqi h GLU 25 CO -0.73 0.96 0.00 -0.11 -1.00 0.00 0.00 179.01 178.13 1lqi n LEU 26 N -3.92 0.14 -0.30 1.33 7.94 0.24 -1.19 117.00 121.23 1lqi n LEU 26 Ca -0.04 0.68 -0.01 0.00 -1.11 0.00 0.00 56.01 55.54 1lqi n LEU 26 Cb 0.64 -0.46 0.05 0.00 0.53 0.00 0.00 43.42 44.18 1lqi n LEU 26 CO 0.47 -0.46 0.63 0.00 -1.11 0.00 0.00 177.39 176.92 1lqi h THR 28 N -0.06 1.17 -1.01 0.00 1.35 -1.58 -0.66 112.91 112.12 1lqi h THR 28 Ca 0.32 -0.32 0.01 0.00 -0.55 0.00 0.00 66.41 65.88 1lqi h THR 28 Cb 0.59 0.23 -0.05 0.00 -1.73 0.00 0.00 68.15 67.19 1lqi h THR 28 CO -0.86 0.16 0.67 0.11 -0.25 0.00 0.00 175.52 175.36 1lqi h LYS 29 N 0.87 1.32 0.00 4.72 1.57 0.20 -0.48 116.57 124.77 1lqi h LYS 29 Ca 0.23 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1lqi h LYS 29 Cb -0.09 -0.30 0.00 0.00 0.08 0.00 0.00 32.23 31.92 1lqi h LYS 29 CO -0.05 0.88 0.00 0.09 -0.57 0.00 0.00 179.45 179.80 1lqi n ASN 30 N -4.38 0.60 0.00 0.86 3.02 -0.55 -4.80 115.26 110.01 1lqi n ASN 30 Ca 0.12 0.64 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 1lqi n ASN 30 Cb 0.02 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 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 0.07 1.54 0.00 7.41 0.00 -0.19 -4.70 105.19 109.33 1lqi n GLY 31 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.83 0.00 -0.12 4.61 0.00 -0.33 -4.33 120.51 119.51 1lqi n ALA 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 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 0.45 0.00 0.00 0.00 177.50 177.95 1lqi n SER 33 N -1.47 1.73 -0.82 0.00 2.88 -0.47 -4.45 113.62 111.01 1lqi n SER 33 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1lqi n SER 33 Cb 0.00 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1lqi n SER 33 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1lqi n SER 34 N -4.12 0.00 0.00 -3.46 3.41 -1.20 -4.69 113.62 103.57 1lqi n SER 34 Ca -0.45 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1lqi n SER 34 Cb 0.81 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1lqi n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lqi n GLY 35 N 0.00 0.98 2.37 5.00 0.00 -1.26 -0.51 105.19 111.76 1lqi n GLY 35 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 1lqi n GLY 35 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1lqi n TYR 36 N -0.01 0.14 -4.35 1.61 0.18 0.34 -2.40 117.16 112.66 1lqi n TYR 36 Ca 0.00 -1.84 -0.35 0.00 1.88 0.00 0.00 57.90 57.59 1lqi n TYR 36 Cb 0.00 -0.02 -0.09 0.00 -0.38 0.00 0.00 39.34 38.85 1lqi n TYR 36 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1lqi s GLN 38 N -0.89 3.95 -0.38 0.00 2.00 -0.94 -4.75 119.66 118.64 1lqi s GLN 38 Ca 0.13 -2.23 -0.29 0.00 -2.00 0.00 0.00 55.36 50.98 1lqi s GLN 38 Cb -0.11 -5.14 0.01 0.00 0.80 0.00 0.00 33.01 28.56 1lqi s GLN 38 CO 0.02 -1.88 1.41 -1.58 -0.50 0.00 0.00 175.29 172.76 1lqi s TRP 39 N 2.48 2.42 0.09 1.67 0.23 -1.26 -1.32 118.94 123.25 1lqi s TRP 39 Ca 0.43 0.70 0.00 0.00 -2.03 0.00 0.00 56.10 55.20 1lqi s TRP 39 Cb -0.02 -4.21 0.00 0.00 0.03 0.00 0.00 33.47 29.27 1lqi s TRP 39 CO -0.01 -2.00 0.00 0.00 0.96 0.00 0.00 176.95 175.90 1lqi n ALA 40 N 8.60 -2.41 0.00 0.98 0.00 -0.06 -4.96 120.51 122.67 1lqi n ALA 40 Ca 0.16 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1lqi n ALA 40 Cb 0.48 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 1.15 -0.63 0.29 0.00 0.00 -1.20 -4.84 105.19 99.96 1lqi n GLY 41 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 0.78 -0.46 1.61 1.57 -1.98 -2.60 116.57 115.49 1lqi h LYS 42 Ca 0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1lqi h LYS 42 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1lqi h LYS 42 CO 0.00 0.78 0.00 0.66 -0.57 0.00 0.00 179.45 180.32 1lqi n TYR 43 N -4.22 1.58 0.00 -1.35 4.02 -1.26 -5.03 117.16 110.89 1lqi n TYR 43 Ca 0.02 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 57.14 1lqi n TYR 43 Cb 0.29 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 1lqi n TYR 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lqi n GLY 44 N 0.24 2.89 2.74 2.72 0.00 -0.98 -3.16 105.19 109.64 1lqi n GLY 44 Ca 0.25 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 1lqi n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lqi n ASN 45 N 10.36 6.27 -2.72 1.61 5.03 -1.24 -0.88 115.26 133.69 1lqi n ASN 45 Ca 0.00 -3.18 0.00 0.00 0.87 0.00 0.00 54.58 52.27 1lqi n ASN 45 Cb 0.00 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 1lqi n ASN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lqi n ALA 46 N 2.74 0.00 -3.43 5.41 0.00 -0.44 -3.24 120.51 121.55 1lqi n ALA 46 Ca 0.46 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.91 1lqi n ALA 46 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 2.77 3.41 -0.08 0.00 -0.11 0.12 -3.78 118.94 121.27 1lqi s TRP 48 Ca 0.01 0.99 -0.01 0.00 1.22 0.00 0.00 56.10 58.31 1lqi s TRP 48 Cb -0.11 -2.35 0.03 0.00 -1.50 0.00 0.00 33.47 29.54 1lqi s TRP 48 CO -0.18 0.22 -0.03 0.00 -4.62 0.00 0.00 176.95 172.34 1lqi s TYR 50 N 1.69 3.42 -0.85 0.00 2.02 0.33 -2.21 117.35 121.75 1lqi s TYR 50 Ca 0.02 0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 57.66 1lqi s TYR 50 Cb -0.13 -2.35 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1lqi s TYR 50 CO -0.05 0.14 0.63 0.00 -1.57 0.00 0.00 175.55 174.70 1lqi n ALA 51 N -0.50 -2.75 -2.85 3.71 0.00 -1.26 -2.57 120.51 114.29 1lqi n ALA 51 Ca 0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1lqi n ALA 51 Cb 0.53 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -5.05 4.37 0.34 0.00 2.96 -0.47 -1.37 118.68 119.46 1lqi s LEU 52 Ca 0.05 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 1lqi s LEU 52 Cb -0.02 -2.09 -0.11 0.00 0.50 0.00 0.00 46.19 44.47 1lqi s LEU 52 CO 0.88 0.38 1.52 -2.16 -1.32 0.00 0.00 176.35 175.65 1lqi s PRO 53 N -0.88 4.13 0.00 0.98 0.04 -1.26 0.36 135.00 138.37 1lqi s PRO 53 Ca 0.15 2.55 0.01 0.00 0.04 0.00 0.00 61.00 63.74 1lqi s PRO 53 Cb -0.12 -3.00 0.04 0.00 0.04 0.00 0.00 34.50 31.46 1lqi s PRO 53 CO 0.04 -0.55 0.91 -0.25 0.04 0.00 0.00 177.00 177.18 1lqi n ASP 54 N 1.23 0.00 -0.08 6.66 9.92 -1.20 -1.39 116.55 131.68 1lqi n ASP 54 Ca 0.04 0.37 0.06 0.00 -0.53 0.00 0.00 54.79 54.73 1lqi n ASP 54 Cb 0.39 -0.38 0.33 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.38 0.25 -4.26 -2.24 0.23 -1.26 -4.73 115.26 101.87 1lqi n ASN 55 Ca 0.00 -1.68 -0.32 0.00 -0.53 0.00 0.00 54.58 52.06 1lqi n ASN 55 Cb 0.01 -0.02 -0.16 0.00 -2.08 0.00 0.00 39.78 37.52 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 -1.96 2.21 0.12 3.53 1.01 -0.49 -5.10 120.40 119.72 1lqi s VAL 56 Ca 0.18 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1lqi s VAL 56 Cb 0.09 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 1lqi s VAL 56 CO 0.14 0.56 1.16 -2.16 0.00 0.00 0.00 175.10 174.81 1lqi s PRO 57 N 0.16 4.50 0.26 2.72 0.04 -1.26 -4.95 135.00 136.45 1lqi s PRO 57 Ca -0.12 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1lqi s PRO 57 Cb -0.16 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1lqi s PRO 57 CO 0.07 -0.12 0.24 0.44 0.04 0.00 0.00 177.00 177.67 1lqi n ILE 58 N 3.15 0.00 -2.64 0.56 -5.35 -1.26 -2.50 119.36 111.32 1lqi n ILE 58 Ca 0.06 -0.97 -0.43 0.00 -0.27 0.00 0.00 62.75 61.14 1lqi n ILE 58 Cb 0.46 -0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 37.91 1lqi n ILE 58 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lqi s ARG 59 N -3.09 4.03 0.55 6.28 6.06 0.18 -4.25 118.95 128.71 1lqi s ARG 59 Ca 0.18 1.01 -0.03 0.00 -2.50 0.00 0.00 55.73 54.40 1lqi s ARG 59 Cb -0.01 -3.75 0.01 0.00 0.06 0.00 0.00 34.95 31.26 1lqi s ARG 59 CO 0.12 -0.94 0.82 0.14 -2.50 0.00 0.00 175.30 172.93 1lqi s VAL 60 N 3.72 3.46 -1.19 7.11 -7.23 -1.26 -4.82 120.40 120.19 1lqi s VAL 60 Ca 0.45 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 60.11 1lqi s VAL 60 Cb -0.12 -3.34 -0.07 0.00 0.56 0.00 0.00 36.38 33.42 1lqi s VAL 60 CO 0.17 -0.30 1.91 -2.16 -0.31 0.00 0.00 175.10 174.41 1lqi s PRO 61 N -4.84 2.68 0.00 4.82 0.04 -1.26 -4.72 135.00 131.71 1lqi s PRO 61 Ca 0.53 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1lqi s PRO 61 Cb -0.10 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1lqi s PRO 61 CO 0.42 -3.75 0.00 0.41 0.04 0.00 0.00 177.00 174.11 1lqi n GLY 62 N 5.81 2.61 0.00 0.56 0.00 -1.26 -5.18 105.19 107.73 1lqi n GLY 62 Ca 0.45 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1lqi n GLY 62 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lqi n LYS 63 N 0.00 1.97 -3.43 1.61 2.85 -1.26 -5.15 118.16 114.75 1lqi n LYS 63 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1lqi n LYS 63 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1lqi n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35