#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqq s ARG 2 N 0.00 1.43 -0.11 7.34 3.03 -1.23 -4.79 118.95 124.62 1lqq s ARG 2 Ca 0.00 -1.16 0.01 0.00 2.03 0.00 0.00 55.73 56.61 1lqq s ARG 2 Cb 0.00 0.46 -0.02 0.00 -1.03 0.00 0.00 34.95 34.36 1lqq s ARG 2 CO 0.00 -0.58 -0.15 -0.51 -1.13 0.00 0.00 175.30 172.93 1lqq s ASP 3 N -2.98 3.91 0.04 -2.89 1.01 -1.26 0.01 116.67 114.52 1lqq s ASP 3 Ca 0.19 -0.33 -0.13 0.00 0.71 0.00 0.00 52.55 52.99 1lqq s ASP 3 Cb 0.00 -1.42 0.04 0.00 1.01 0.00 0.00 42.92 42.55 1lqq s ASP 3 CO 0.05 0.20 0.59 0.00 0.21 0.00 0.00 175.17 176.22 1lqq n ALA 4 N 3.27 -1.60 -2.64 5.23 0.00 -0.08 -4.95 120.51 119.74 1lqq n ALA 4 Ca -0.18 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 1lqq n ALA 4 Cb 0.53 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1lqq n ALA 4 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1lqq s TYR 5 N -3.30 3.66 0.15 0.00 2.02 -1.26 -0.35 117.35 118.26 1lqq s TYR 5 Ca 0.14 1.54 -0.17 0.00 -0.37 0.00 0.00 57.07 58.21 1lqq s TYR 5 Cb -0.01 -2.98 -0.07 0.00 -0.40 0.00 0.00 41.96 38.49 1lqq s TYR 5 CO 0.01 0.07 0.61 -1.50 -1.57 0.00 0.00 175.55 173.17 1lqq s ILE 6 N 0.74 4.74 0.56 2.71 2.07 0.23 -1.58 121.20 130.67 1lqq s ILE 6 Ca 0.46 1.06 -0.09 0.00 -1.41 0.00 0.00 60.65 60.67 1lqq s ILE 6 Cb -0.20 -3.82 -0.04 0.00 0.13 0.00 0.00 42.46 38.53 1lqq s ILE 6 CO 0.25 0.31 0.94 0.00 -1.91 0.00 0.00 174.94 174.53 1lqq s ALA 7 N -1.39 3.20 0.10 1.50 0.00 -1.26 -4.01 121.76 119.90 1lqq s ALA 7 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1lqq s ALA 7 Cb -0.17 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1lqq s ALA 7 CO 0.20 -0.54 0.00 1.17 0.00 0.00 0.00 175.76 176.59 1lqq n LYS 8 N -2.49 0.00 0.00 0.00 0.00 0.37 -4.87 118.16 111.18 1lqq n LYS 8 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1lqq n LYS 8 Cb 0.54 -0.49 0.00 0.00 0.00 0.00 0.00 35.03 35.09 1lqq n LYS 8 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1lqq n ASN 9 N -3.45 0.00 -3.04 3.14 2.85 -1.25 -4.99 115.26 108.52 1lqq n ASN 9 Ca 0.00 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 1lqq n ASN 9 Cb 0.04 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.03 1lqq n ASN 9 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1lqq n TYR 10 N -1.30 2.35 -1.86 1.20 4.01 -1.26 -4.81 117.16 115.48 1lqq n TYR 10 Ca 0.00 -3.90 0.00 0.00 -0.16 0.00 0.00 57.90 53.84 1lqq n TYR 10 Cb 0.00 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 1lqq n TYR 10 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1lqq n ASN 11 N -0.02 -1.08 -4.64 7.72 2.85 -1.26 -2.37 115.26 116.46 1lqq n ASN 11 Ca 0.28 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.52 1lqq n ASN 11 Cb 0.52 -0.44 -0.07 0.00 1.24 0.00 0.00 39.78 41.02 1lqq n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1lqq n VAL 13 N -0.87 0.00 -4.06 0.00 0.24 -1.26 0.14 118.33 112.53 1lqq n VAL 13 Ca -0.06 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 1lqq n VAL 13 Cb 0.59 -0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 32.74 1lqq n VAL 13 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1lqq s TYR 14 N 2.07 2.22 -0.24 6.34 1.51 -1.26 -4.47 117.35 123.52 1lqq s TYR 14 Ca 0.00 -0.70 -0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1lqq s TYR 14 Cb 0.00 -1.93 0.07 0.00 -0.11 0.00 0.00 41.96 39.99 1lqq s TYR 14 CO 0.00 -0.06 -0.00 -2.00 -1.11 0.00 0.00 175.55 172.38 1lqq s GLU 15 N -4.05 1.26 0.14 -0.62 2.56 -1.26 -3.72 118.70 113.01 1lqq s GLU 15 Ca 0.36 -0.93 0.06 0.00 0.00 0.00 0.00 54.97 54.46 1lqq s GLU 15 Cb 0.01 -2.44 -0.04 0.00 2.00 0.00 0.00 34.13 33.66 1lqq s GLU 15 CO 0.20 -0.69 -0.14 0.00 -0.56 0.00 0.00 175.26 174.08 1lqq n PHE 17 N 0.28 0.00 -4.59 0.00 -0.00 -1.26 -4.72 117.46 107.17 1lqq n PHE 17 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.04 1lqq n PHE 17 Cb 0.58 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.97 1lqq n PHE 17 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1lqq s ARG 18 N -0.03 1.98 -0.18 -4.13 3.00 -1.26 -5.08 118.95 113.25 1lqq s ARG 18 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 55.73 53.52 1lqq s ARG 18 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 34.95 33.84 1lqq s ARG 18 CO 0.00 -0.38 -0.17 -3.47 0.00 0.00 0.00 175.30 171.28 1lqq n ASP 19 N -1.20 2.47 -0.13 0.23 2.03 -1.26 -4.24 116.55 114.46 1lqq n ASP 19 Ca -0.10 -0.05 -0.10 0.00 0.52 0.00 0.00 54.79 55.05 1lqq n ASP 19 Cb 0.66 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 40.69 1lqq n ASP 19 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1lqq h SER 20 N -0.08 -1.49 -0.96 1.67 4.64 -1.98 0.19 113.55 115.54 1lqq h SER 20 Ca -0.40 0.22 0.30 0.00 -0.47 0.00 0.00 61.79 61.44 1lqq h SER 20 Cb 1.59 0.64 -0.17 0.00 -0.31 0.00 0.00 62.40 64.15 1lqq h SER 20 CO -0.09 -0.37 0.25 0.22 -0.87 0.00 0.00 176.83 175.97 1lqq h TYR 21 N -0.34 0.35 0.19 4.77 3.20 -1.95 0.26 116.97 123.45 1lqq h TYR 21 Ca 0.13 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1lqq h TYR 21 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1lqq h TYR 21 CO -0.64 -0.37 -0.09 0.00 -1.64 0.00 0.00 178.16 175.43 1lqq h ASN 23 N -0.74 -0.39 0.67 0.00 -1.24 0.95 0.17 115.58 115.00 1lqq h ASN 23 Ca -0.03 0.24 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1lqq h ASN 23 Cb 0.51 0.41 0.01 0.00 0.73 0.00 0.00 38.32 39.97 1lqq h ASN 23 CO 0.04 -0.26 -0.32 0.44 -1.29 0.00 0.00 177.43 176.04 1lqq h ASP 24 N 0.07 -0.77 -0.95 1.15 3.32 -0.91 -2.56 116.42 115.77 1lqq h ASP 24 Ca 0.51 0.03 0.17 0.00 0.02 0.00 0.00 57.03 57.75 1lqq h ASP 24 Cb 0.99 0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 1lqq h ASP 24 CO -0.79 -0.39 -0.32 -0.11 -1.72 0.00 0.00 179.24 175.91 1lqq n LEU 25 N -5.28 -0.50 0.31 1.55 7.94 0.13 -0.23 117.00 120.91 1lqq n LEU 25 Ca -0.11 1.65 -0.16 0.00 -1.11 0.00 0.00 56.01 56.29 1lqq n LEU 25 Cb 0.36 -0.43 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 1lqq n LEU 25 CO 0.27 -1.53 0.53 0.00 -1.11 0.00 0.00 177.39 175.55 1lqq h THR 27 N -0.99 0.96 -0.87 0.00 1.35 -0.96 0.18 112.91 112.58 1lqq h THR 27 Ca -0.08 -0.32 0.25 0.00 -0.55 0.00 0.00 66.41 65.71 1lqq h THR 27 Cb 0.66 -0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 66.99 1lqq h THR 27 CO 0.13 0.17 0.68 0.50 -0.25 0.00 0.00 175.52 176.75 1lqq h LYS 28 N 0.93 0.00 0.00 4.72 3.11 -0.37 0.60 116.57 125.57 1lqq h LYS 28 Ca 0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1lqq h LYS 28 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1lqq h LYS 28 CO -0.20 0.00 -0.95 -1.71 -2.81 0.00 0.00 179.45 173.78 1lqq n ASN 29 N -4.08 0.63 0.00 4.20 5.15 0.52 -4.92 115.26 116.76 1lqq n ASN 29 Ca 0.18 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1lqq n ASN 29 Cb 0.98 0.73 0.00 0.00 -0.53 0.00 0.00 39.78 40.96 1lqq n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1lqq n GLY 30 N 1.40 1.82 3.92 8.20 0.00 0.21 -4.77 105.19 115.96 1lqq n GLY 30 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1lqq n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqq s ALA 31 N -2.00 3.13 -0.06 4.61 0.00 -0.61 -2.77 121.76 124.06 1lqq s ALA 31 Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 1lqq s ALA 31 Cb 0.00 -2.66 -0.20 0.00 0.00 0.00 0.00 23.12 20.26 1lqq s ALA 31 CO 0.00 -1.19 0.97 1.03 0.00 0.00 0.00 175.76 176.57 1lqq h SER 32 N -0.53 -0.07 -5.18 0.00 0.87 -0.07 -3.38 113.55 105.18 1lqq h SER 32 Ca -0.45 -0.55 0.17 0.00 -1.23 0.00 0.00 61.79 59.72 1lqq h SER 32 Cb 1.30 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 63.18 1lqq h SER 32 CO 0.61 0.57 0.49 -0.44 -0.53 0.00 0.00 176.83 177.54 1lqq s SER 33 N -5.74 -0.22 0.05 6.23 0.01 -1.08 -4.82 113.70 108.14 1lqq s SER 33 Ca -0.15 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 1lqq s SER 33 Cb -0.00 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1lqq s SER 33 CO 0.59 -0.82 0.08 -0.83 0.41 0.00 0.00 173.24 172.67 1lqq s GLY 34 N -2.84 0.24 0.09 3.44 0.00 -1.26 -0.52 107.32 106.47 1lqq s GLY 34 Ca 0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 1lqq s GLY 34 CO -0.01 -0.90 0.16 -2.52 0.00 0.00 0.00 173.10 169.83 1lqq s TYR 35 N -3.29 0.23 0.37 1.90 -0.85 -0.21 -1.44 117.35 114.07 1lqq s TYR 35 Ca 0.01 -0.68 -0.07 0.00 -0.52 0.00 0.00 57.07 55.81 1lqq s TYR 35 Cb 0.03 -0.12 -0.05 0.00 0.38 0.00 0.00 41.96 42.20 1lqq s TYR 35 CO -0.08 -0.53 0.69 0.00 -1.52 0.00 0.00 175.55 174.11 1lqq s GLN 37 N -3.92 1.57 -0.16 0.00 2.00 0.79 -4.72 119.66 115.21 1lqq s GLN 37 Ca 0.47 -1.64 -0.19 0.00 -2.00 0.00 0.00 55.36 52.01 1lqq s GLN 37 Cb -0.10 0.37 0.05 0.00 0.80 0.00 0.00 33.01 34.13 1lqq s GLN 37 CO 0.33 -0.60 0.51 1.67 -0.50 0.00 0.00 175.29 176.70 1lqq s TRP 38 N -3.70 -0.53 0.00 1.67 -2.14 -1.26 -1.72 118.94 111.25 1lqq s TRP 38 Ca 0.33 1.25 0.00 0.00 2.66 0.00 0.00 56.10 60.34 1lqq s TRP 38 Cb 0.02 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 1lqq s TRP 38 CO 0.16 -0.31 0.00 0.00 -2.66 0.00 0.00 176.95 174.14 1lqq n ALA 39 N 2.49 2.39 0.00 2.67 0.00 0.21 -4.99 120.51 123.28 1lqq n ALA 39 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1lqq n ALA 39 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1lqq n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqq n GLY 40 N 1.87 0.40 0.33 0.00 0.00 -1.19 -4.83 105.19 101.77 1lqq n GLY 40 Ca 0.00 0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.33 1lqq n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lqq n LYS 41 N 0.00 -0.07 -0.07 1.61 4.81 -1.26 -0.86 118.16 122.33 1lqq n LYS 41 Ca 0.00 1.42 -0.04 0.00 -0.87 0.00 0.00 58.31 58.81 1lqq n LYS 41 Cb 0.00 -2.31 -0.13 0.00 0.02 0.00 0.00 35.03 32.61 1lqq n LYS 41 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1lqq n TYR 42 N -5.37 0.00 0.00 5.64 4.01 -1.25 -4.48 117.16 115.71 1lqq n TYR 42 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1lqq n TYR 42 Cb 0.85 -0.72 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1lqq n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1lqq n GLY 43 N 1.90 0.47 3.64 2.72 0.00 -0.04 -4.99 105.19 108.89 1lqq n GLY 43 Ca -0.22 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1lqq n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lqq s ASN 44 N -4.00 4.44 0.00 1.61 2.47 -1.26 -0.62 114.94 117.58 1lqq s ASN 44 Ca 0.00 -0.74 0.00 0.00 0.42 0.00 0.00 52.86 52.54 1lqq s ASN 44 Cb 0.00 -0.74 0.00 0.00 -1.45 0.00 0.00 41.25 39.06 1lqq s ASN 44 CO 0.00 -0.08 0.00 0.00 -3.72 0.00 0.00 177.10 173.30 1lqq n ALA 45 N -0.92 0.00 -2.28 1.71 0.00 -0.70 -4.74 120.51 113.58 1lqq n ALA 45 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 1lqq n ALA 45 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1lqq n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lqq s TRP 47 N -1.13 2.70 0.21 0.00 -0.11 0.14 -0.60 118.94 120.14 1lqq s TRP 47 Ca 0.30 -1.16 0.11 0.00 1.22 0.00 0.00 56.10 56.56 1lqq s TRP 47 Cb -0.19 -1.82 -0.04 0.00 -1.50 0.00 0.00 33.47 29.91 1lqq s TRP 47 CO 0.19 -0.52 -0.16 0.00 -4.62 0.00 0.00 176.95 171.85 1lqq s TYR 49 N -1.92 1.99 -1.01 0.00 1.13 0.32 -0.90 117.35 116.95 1lqq s TYR 49 Ca 0.25 -0.39 -0.14 0.00 -1.41 0.00 0.00 57.07 55.38 1lqq s TYR 49 Cb -0.07 -1.18 -0.00 0.00 -1.10 0.00 0.00 41.96 39.60 1lqq s TYR 49 CO 0.14 0.10 0.73 0.00 -2.51 0.00 0.00 175.55 174.01 1lqq n ALA 50 N 1.82 -2.61 -1.23 9.51 0.00 0.10 -2.00 120.51 126.10 1lqq n ALA 50 Ca -0.17 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1lqq n ALA 50 Cb 0.53 -2.80 0.09 0.00 0.00 0.00 0.00 19.45 17.28 1lqq n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lqq s LEU 51 N -5.82 3.12 0.00 0.00 2.01 -0.04 -0.36 118.68 117.59 1lqq s LEU 51 Ca 0.29 1.99 0.00 0.00 0.01 0.00 0.00 54.13 56.43 1lqq s LEU 51 Cb -0.11 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.54 1lqq s LEU 51 CO 0.86 -2.16 0.44 -0.81 1.01 0.00 0.00 176.35 175.69 1lqq n PRO 52 N -3.30 0.63 0.00 1.29 -0.04 -1.12 -3.58 135.00 128.90 1lqq n PRO 52 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1lqq n PRO 52 Cb 0.52 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1lqq n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1lqq n ASP 53 N -0.07 0.00 -1.83 3.54 8.00 -1.26 -4.79 116.55 120.14 1lqq n ASP 53 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1lqq n ASP 53 Cb 0.10 -0.42 0.32 0.00 -0.02 0.00 0.00 41.12 41.09 1lqq n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1lqq n ASN 54 N 0.00 4.89 -4.09 -2.24 6.94 -1.26 -4.78 115.26 114.72 1lqq n ASN 54 Ca 0.00 -2.97 -0.35 0.00 -0.02 0.00 0.00 54.58 51.25 1lqq n ASN 54 Cb 0.00 -0.70 -0.12 0.00 -2.36 0.00 0.00 39.78 36.60 1lqq n ASN 54 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1lqq s VAL 55 N -2.66 3.03 -0.78 3.53 1.01 -1.26 -5.04 120.40 118.24 1lqq s VAL 55 Ca 0.49 -2.25 -0.26 0.00 0.00 0.00 0.00 61.98 59.97 1lqq s VAL 55 Cb 0.38 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1lqq s VAL 55 CO 0.13 -0.69 2.22 -2.16 0.00 0.00 0.00 175.10 174.60 1lqq s PRO 56 N 0.93 2.04 0.00 2.72 0.04 -1.26 -4.93 135.00 134.54 1lqq s PRO 56 Ca 0.10 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1lqq s PRO 56 Cb -0.22 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1lqq s PRO 56 CO -0.05 -3.86 0.00 0.44 0.04 0.00 0.00 177.00 173.57 1lqq n ILE 57 N 8.29 0.00 -3.80 0.56 -0.00 -1.26 -4.09 119.36 119.06 1lqq n ILE 57 Ca 0.42 0.00 -0.24 0.00 -0.00 0.00 0.00 62.75 62.93 1lqq n ILE 57 Cb 0.46 -0.66 -0.17 0.00 -0.00 0.00 0.00 39.64 39.27 1lqq n ILE 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lqq s ARG 58 N -2.89 0.81 -0.39 6.28 1.04 -0.62 -4.53 118.95 118.64 1lqq s ARG 58 Ca 0.00 0.03 0.11 0.00 -1.04 0.00 0.00 55.73 54.82 1lqq s ARG 58 Cb 0.00 -1.11 0.37 0.00 -2.04 0.00 0.00 34.95 32.17 1lqq s ARG 58 CO 0.00 -0.30 1.02 1.33 -0.04 0.00 0.00 175.30 177.31 1lqq n VAL 59 N 5.10 0.14 0.00 4.99 0.24 -1.26 -4.38 118.33 123.17 1lqq n VAL 59 Ca -0.08 -2.71 0.00 0.00 -2.04 0.00 0.00 64.34 59.50 1lqq n VAL 59 Cb 0.50 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1lqq n VAL 59 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1lqq n PRO 60 N 0.06 0.00 0.03 7.34 -0.04 -1.26 -5.05 135.00 136.08 1lqq n PRO 60 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1lqq n PRO 60 Cb 0.74 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 1lqq n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lqq n GLY 61 N 1.70 -1.91 3.53 0.55 0.00 -1.26 -5.09 105.19 102.71 1lqq n GLY 61 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 1lqq n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqq s LYS 62 N -1.28 1.99 0.79 1.61 1.02 -1.26 -3.85 119.74 118.76 1lqq s LYS 62 Ca 0.00 -1.08 -0.10 0.00 0.02 0.00 0.00 55.97 54.81 1lqq s LYS 62 Cb 0.00 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 35.18 1lqq s LYS 62 CO 0.00 0.50 1.13 0.00 -0.92 0.00 0.00 175.35 176.06