#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqc s LYS 2 N 0.00 1.10 0.02 3.17 1.02 -1.19 -2.80 119.74 121.06 1lqc s LYS 2 Ca 0.00 -0.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 1lqc s LYS 2 Cb 0.00 0.43 -0.21 0.00 -0.52 0.00 0.00 37.83 37.52 1lqc s LYS 2 CO 0.00 -0.50 1.15 -1.35 -0.92 0.00 0.00 175.35 173.73 1lqc h PRO 3 N 2.00 0.44 -3.48 -1.68 0.11 -1.94 -3.47 132.00 123.97 1lqc h PRO 3 Ca -0.24 -0.42 -0.15 0.00 0.11 0.00 0.00 66.00 65.30 1lqc h PRO 3 Cb 1.24 0.11 -0.21 0.00 0.11 0.00 0.00 31.00 32.25 1lqc h PRO 3 CO 0.29 1.07 -0.49 0.54 -0.21 0.00 0.00 178.00 179.20 1lqc s VAL 4 N -3.39 0.07 0.14 3.15 0.11 -1.26 -5.16 120.40 114.06 1lqc s VAL 4 Ca -0.13 -0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 58.18 1lqc s VAL 4 Cb 0.04 -0.42 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 1lqc s VAL 4 CO 0.82 -0.34 0.50 0.42 -3.33 0.00 0.00 175.10 173.17 1lqc s THR 5 N -1.23 4.94 0.57 5.04 -4.23 -1.26 -4.96 115.64 114.50 1lqc s THR 5 Ca -0.13 0.67 0.35 0.00 -1.18 0.00 0.00 61.69 61.39 1lqc s THR 5 Cb -0.07 -3.69 0.51 0.00 1.34 0.00 0.00 72.50 70.59 1lqc s THR 5 CO 0.01 0.22 1.66 -0.07 -0.54 0.00 0.00 174.62 175.90 1lqc h LEU 6 N 3.47 0.00 -1.05 4.79 3.38 -2.01 -1.25 115.31 122.64 1lqc h LEU 6 Ca -0.48 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1lqc h LEU 6 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1lqc h LEU 6 CO 0.66 0.00 0.64 1.88 0.09 0.00 0.00 178.44 181.72 1lqc h TYR 7 N 0.00 1.21 -0.36 1.13 0.05 -1.93 0.19 116.97 117.27 1lqc h TYR 7 Ca 0.53 0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.40 1lqc h TYR 7 Cb 2.45 -0.41 -0.05 0.00 1.01 0.00 0.00 36.73 39.74 1lqc h TYR 7 CO 0.00 0.74 0.06 0.22 -1.05 0.00 0.00 178.16 178.13 1lqc h ASP 8 N 1.29 -0.01 -0.95 3.88 3.58 -1.61 0.76 116.42 123.36 1lqc h ASP 8 Ca 0.37 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.89 1lqc h ASP 8 Cb -0.10 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 1lqc h ASP 8 CO -0.09 0.03 0.63 0.58 -2.88 0.00 0.00 179.24 177.51 1lqc h VAL 9 N 0.18 1.24 0.05 2.25 2.07 -1.45 -0.71 116.25 119.89 1lqc h VAL 9 Ca 0.17 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1lqc h VAL 9 Cb 0.20 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1lqc h VAL 9 CO -0.23 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 1lqc h ALA 10 N 1.35 -0.07 -0.55 1.67 0.00 -0.06 -0.66 119.26 120.93 1lqc h ALA 10 Ca 0.35 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1lqc h ALA 10 Cb -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1lqc h ALA 10 CO -0.08 -0.54 -0.07 0.93 0.00 0.00 0.00 179.25 179.50 1lqc h GLU 11 N -0.08 1.00 -0.27 0.00 3.07 -0.68 0.31 114.58 117.92 1lqc h GLU 11 Ca -0.01 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.41 1lqc h GLU 11 Cb 0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1lqc h GLU 11 CO 0.01 1.02 -0.24 -0.92 -1.40 0.00 0.00 179.01 177.48 1lqc h TYR 12 N 0.90 0.58 0.00 4.33 5.03 -0.81 -2.18 116.97 124.83 1lqc h TYR 12 Ca 0.15 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1lqc h TYR 12 Cb 0.62 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1lqc h TYR 12 CO 0.04 0.72 -0.40 0.00 -1.32 0.00 0.00 178.16 177.20 1lqc n ALA 13 N -2.49 2.69 -1.99 1.82 0.00 -0.28 -4.96 120.51 115.30 1lqc n ALA 13 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1lqc n ALA 13 Cb 0.40 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 1lqc n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lqc n GLY 14 N 1.32 0.29 2.98 0.00 0.00 0.84 -5.01 105.19 105.62 1lqc n GLY 14 Ca 0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1lqc n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lqc s VAL 15 N -2.11 0.76 0.03 1.61 0.11 0.25 -4.96 120.40 116.08 1lqc s VAL 15 Ca 0.00 -0.33 -0.38 0.00 -2.93 0.00 0.00 61.98 58.34 1lqc s VAL 15 Cb 0.00 -0.69 -0.19 0.00 -1.53 0.00 0.00 36.38 33.96 1lqc s VAL 15 CO 0.00 0.25 1.06 -1.54 -3.33 0.00 0.00 175.10 171.54 1lqc n SER 16 N 3.45 0.13 -0.11 3.54 3.41 -1.26 -4.25 113.62 118.53 1lqc n SER 16 Ca -0.20 1.15 0.26 0.00 -0.26 0.00 0.00 58.87 59.82 1lqc n SER 16 Cb 0.54 -0.96 0.72 0.00 -0.26 0.00 0.00 64.21 64.24 1lqc n SER 16 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1lqc h TYR 17 N 3.04 0.00 -0.93 7.33 3.20 -1.95 -0.75 116.97 126.91 1lqc h TYR 17 Ca -0.49 0.00 0.21 0.00 3.14 0.00 0.00 58.73 61.59 1lqc h TYR 17 Cb 1.42 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.57 1lqc h TYR 17 CO 0.56 0.00 0.49 1.96 -1.64 0.00 0.00 178.16 179.53 1lqc h GLN 18 N 0.00 0.52 0.33 1.82 7.50 -2.00 -1.95 115.11 121.33 1lqc h GLN 18 Ca 0.36 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.47 1lqc h GLN 18 Cb 1.50 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 28.92 1lqc h GLN 18 CO -0.00 0.35 -0.16 1.79 -1.50 0.00 0.00 178.83 179.31 1lqc h THR 19 N 0.54 0.69 -0.16 -0.54 1.35 -1.48 -2.36 112.91 110.96 1lqc h THR 19 Ca 0.57 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 66.13 1lqc h THR 19 Cb 1.02 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1lqc h THR 19 CO -0.46 0.06 0.08 0.58 -0.25 0.00 0.00 175.52 175.52 1lqc h VAL 20 N -0.60 1.13 -0.79 6.82 2.07 -1.62 -0.39 116.25 122.86 1lqc h VAL 20 Ca -0.05 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1lqc h VAL 20 Cb 0.44 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1lqc h VAL 20 CO 0.07 0.12 0.49 0.77 0.02 0.00 0.00 177.57 179.04 1lqc h SER 21 N 0.13 0.78 -0.39 0.57 4.64 -1.33 -0.55 113.55 117.40 1lqc h SER 21 Ca 0.05 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1lqc h SER 21 Cb 0.12 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1lqc h SER 21 CO -0.01 0.52 0.20 0.03 -0.87 0.00 0.00 176.83 176.70 1lqc h ARG 22 N 0.92 0.55 -0.38 4.77 3.08 -0.95 -2.79 114.38 119.58 1lqc h ARG 22 Ca 0.33 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.37 1lqc h ARG 22 Cb 0.10 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1lqc h ARG 22 CO -0.15 0.47 0.05 0.28 -1.07 0.00 0.00 179.97 179.56 1lqc h VAL 23 N 0.49 0.78 -0.25 2.04 2.07 0.39 -0.85 116.25 120.92 1lqc h VAL 23 Ca 0.14 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1lqc h VAL 23 Cb 0.09 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1lqc h VAL 23 CO -0.02 0.03 0.06 0.58 0.02 0.00 0.00 177.57 178.24 1lqc h VAL 24 N 0.17 0.89 -0.68 2.57 2.07 -0.90 -1.41 116.25 118.96 1lqc h VAL 24 Ca 0.18 -0.05 -0.41 0.00 0.82 0.00 0.00 66.70 67.24 1lqc h VAL 24 Cb 0.23 0.72 -0.24 0.00 -1.52 0.00 0.00 31.29 30.49 1lqc h VAL 24 CO -0.26 0.03 0.16 0.59 0.02 0.00 0.00 177.57 178.11 1lqc n ASN 25 N -5.08 4.13 0.00 0.57 5.03 -1.15 -4.94 115.26 113.83 1lqc n ASN 25 Ca -0.01 -3.75 0.00 0.00 0.87 0.00 0.00 54.58 51.69 1lqc n ASN 25 Cb 0.11 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 1lqc n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lqc n GLN 26 N -1.03 0.00 -2.42 3.52 3.00 -0.53 -4.23 117.38 115.69 1lqc n GLN 26 Ca 0.47 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1lqc n GLN 26 Cb 1.10 -2.69 -0.00 0.00 0.00 0.00 0.00 30.24 28.65 1lqc n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1lqc n ALA 27 N 0.63 -0.96 0.00 -1.58 0.00 -0.36 -0.93 120.51 117.31 1lqc n ALA 27 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1lqc n ALA 27 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1lqc n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1lqc n SER 28 N -1.44 0.00 -3.68 0.00 3.41 -1.26 -4.80 113.62 105.85 1lqc n SER 28 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1lqc n SER 28 Cb 0.48 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1lqc n SER 28 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1lqc s HIS 29 N 0.00 -0.69 -0.11 7.33 0.09 -0.11 -5.17 115.29 116.63 1lqc s HIS 29 Ca 0.00 1.48 -0.15 0.00 -0.00 0.00 0.00 55.06 56.39 1lqc s HIS 29 Cb 0.00 0.33 0.04 0.00 -0.00 0.00 0.00 32.58 32.95 1lqc s HIS 29 CO 0.00 -0.37 0.38 0.08 -0.00 0.00 0.00 174.74 174.84 1lqc s VAL 30 N 1.23 0.02 0.00 -0.90 1.01 -1.25 -5.04 120.40 115.48 1lqc s VAL 30 Ca -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1lqc s VAL 30 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1lqc s VAL 30 CO -0.12 -0.07 0.17 -1.54 0.00 0.00 0.00 175.10 173.54 1lqc n SER 31 N 2.34 -0.02 -0.05 3.32 3.41 -1.26 -4.92 113.62 116.43 1lqc n SER 31 Ca -0.16 0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1lqc n SER 31 Cb 0.57 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1lqc n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lqc h ALA 32 N 0.46 0.21 -1.03 7.33 0.00 -2.01 -2.74 119.26 121.48 1lqc h ALA 32 Ca -0.08 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.90 1lqc h ALA 32 Cb 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1lqc h ALA 32 CO 0.11 -0.08 0.62 0.87 0.00 0.00 0.00 179.25 180.77 1lqc h LYS 33 N 0.01 0.45 -0.03 0.00 6.56 -2.00 0.20 116.57 121.76 1lqc h LYS 33 Ca 0.04 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1lqc h LYS 33 Cb 0.39 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1lqc h LYS 33 CO 0.01 0.30 0.02 1.15 -2.06 0.00 0.00 179.45 178.87 1lqc h THR 34 N 0.47 1.08 -0.39 -0.16 2.02 -1.88 -2.68 112.91 111.37 1lqc h THR 34 Ca 0.66 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.64 1lqc h THR 34 Cb 1.44 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1lqc h THR 34 CO -0.45 0.06 0.20 0.03 0.37 0.00 0.00 175.52 175.73 1lqc h ARG 35 N -0.04 0.39 -0.84 6.66 2.47 -0.58 -2.14 114.38 120.30 1lqc h ARG 35 Ca 0.01 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1lqc h ARG 35 Cb 0.09 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 1lqc h ARG 35 CO -0.00 0.26 0.55 0.93 0.56 0.00 0.00 179.97 182.26 1lqc h GLU 36 N 0.40 0.96 -0.11 0.04 3.07 -0.80 0.16 114.58 118.30 1lqc h GLU 36 Ca 0.16 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 1lqc h GLU 36 Cb 0.06 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1lqc h GLU 36 CO -0.11 0.64 -0.52 -0.22 -1.40 0.00 0.00 179.01 177.40 1lqc h LYS 37 N 0.99 0.55 -0.09 2.33 3.64 -1.18 -1.79 116.57 121.02 1lqc h LYS 37 Ca 0.34 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1lqc h LYS 37 Cb 0.11 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1lqc h LYS 37 CO -0.11 1.07 0.03 0.28 -2.27 0.00 0.00 179.45 178.45 1lqc h VAL 38 N 0.16 1.16 -0.69 2.00 2.07 -0.64 -0.95 116.25 119.35 1lqc h VAL 38 Ca -0.03 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.16 1lqc h VAL 38 Cb 1.16 1.31 -0.11 0.00 -1.52 0.00 0.00 31.29 32.13 1lqc h VAL 38 CO 0.11 0.14 0.10 -0.33 0.02 0.00 0.00 177.57 177.60 1lqc h GLU 39 N -0.03 0.19 0.31 1.57 5.08 -0.57 0.37 114.58 121.52 1lqc h GLU 39 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1lqc h GLU 39 Cb 0.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1lqc h GLU 39 CO -0.00 0.13 -0.15 0.00 -1.00 0.00 0.00 179.01 177.99 1lqc h ALA 40 N 1.60 -0.42 -0.83 3.43 0.00 -0.88 -2.09 119.26 120.05 1lqc h ALA 40 Ca 0.38 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1lqc h ALA 40 Cb 0.63 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1lqc h ALA 40 CO -0.52 -0.60 0.46 0.00 0.00 0.00 0.00 179.25 178.59 1lqc h ALA 41 N -0.12 1.22 0.02 0.00 0.00 -0.18 -1.89 119.26 118.31 1lqc h ALA 41 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1lqc h ALA 41 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1lqc h ALA 41 CO 0.07 0.03 -0.02 0.52 0.00 0.00 0.00 179.25 179.85 1lqc h MET 42 N 0.73 -0.05 -0.50 0.00 2.07 -0.00 0.19 114.93 117.38 1lqc h MET 42 Ca 0.42 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 58.00 1lqc h MET 42 Cb 0.47 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.19 1lqc h MET 42 CO -0.29 -0.03 0.10 0.00 1.07 0.00 0.00 176.91 177.76 1lqc h ALA 43 N 0.93 0.66 -0.17 6.32 0.00 -0.96 0.12 119.26 126.17 1lqc h ALA 43 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1lqc h ALA 43 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lqc h ALA 43 CO -0.01 0.38 -0.24 0.93 0.00 0.00 0.00 179.25 180.31 1lqc h GLU 44 N 0.70 0.31 -0.52 0.00 5.08 -0.59 -1.15 114.58 118.42 1lqc h GLU 44 Ca 0.15 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1lqc h GLU 44 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1lqc h GLU 44 CO 0.01 0.54 0.00 1.28 -1.00 0.00 0.00 179.01 179.84 1lqc n LEU 45 N -4.16 2.78 -2.44 1.33 4.77 -0.02 -4.94 117.00 114.33 1lqc n LEU 45 Ca -0.01 -1.40 -0.07 0.00 -0.03 0.00 0.00 56.01 54.51 1lqc n LEU 45 Cb 0.37 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1lqc n LEU 45 CO 0.40 0.62 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.53 1lqc n ASN 46 N 0.82 -2.58 -4.43 -1.43 2.04 -0.43 -4.88 115.26 104.37 1lqc n ASN 46 Ca 0.16 0.33 -0.44 0.00 -0.44 0.00 0.00 54.58 54.19 1lqc n ASN 46 Cb 0.47 -2.27 -0.05 0.00 -2.53 0.00 0.00 39.78 35.40 1lqc n ASN 46 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1lqc s TYR 47 N -2.32 3.00 -0.25 -2.53 5.04 0.35 -4.98 117.35 115.65 1lqc s TYR 47 Ca 0.00 -0.66 -0.38 0.00 -2.44 0.00 0.00 57.07 53.59 1lqc s TYR 47 Cb 0.00 -3.75 -0.14 0.00 0.35 0.00 0.00 41.96 38.42 1lqc s TYR 47 CO 0.00 -1.16 1.83 1.51 -1.34 0.00 0.00 175.55 176.39 1lqc n ILE 48 N 5.63 0.36 -0.44 3.14 0.00 -1.26 -4.55 119.36 122.23 1lqc n ILE 48 Ca -0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 62.75 62.56 1lqc n ILE 48 Cb 0.44 -1.41 -0.04 0.00 0.00 0.00 0.00 39.64 38.63 1lqc n ILE 48 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1lqc n PRO 49 N 6.02 0.89 -2.75 9.51 -0.04 -1.26 -4.22 135.00 143.15 1lqc n PRO 49 Ca 0.28 -0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1lqc n PRO 49 Cb 0.17 -1.45 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1lqc n PRO 49 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1lqc s ASN 50 N 2.16 -0.42 -0.26 3.54 2.47 -1.26 -4.95 114.94 116.22 1lqc s ASN 50 Ca 0.18 -0.33 -0.10 0.00 0.42 0.00 0.00 52.86 53.03 1lqc s ASN 50 Cb 0.08 0.54 -0.06 0.00 -1.45 0.00 0.00 41.25 40.36 1lqc s ASN 50 CO 0.00 -0.03 0.75 -2.11 -3.72 0.00 0.00 177.10 171.99 1lqc n ARG 51 N 3.27 0.00 -1.84 0.43 0.00 -1.26 -4.85 116.66 112.41 1lqc n ARG 51 Ca 0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.62 1lqc n ARG 51 Cb 0.63 -0.44 -0.06 0.00 -0.00 0.00 0.00 32.46 32.59 1lqc n ARG 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1lqc n VAL 52 N 2.13 1.86 -1.79 8.89 0.24 -1.15 -4.89 118.33 123.63 1lqc n VAL 52 Ca 0.19 -1.87 -0.32 0.00 -2.04 0.00 0.00 64.34 60.29 1lqc n VAL 52 Cb 0.00 -2.20 -0.06 0.00 -1.47 0.00 0.00 33.84 30.11 1lqc n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lqc n ALA 53 N 12.86 2.11 -0.02 2.33 0.00 -1.12 -3.20 120.51 133.47 1lqc n ALA 53 Ca 0.46 -3.06 -0.06 0.00 0.00 0.00 0.00 53.44 50.78 1lqc n ALA 53 Cb 0.45 -3.52 -0.02 0.00 0.00 0.00 0.00 19.45 16.36 1lqc n ALA 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1lqc n GLN 54 N 7.95 0.13 -1.73 0.00 6.02 -1.26 -4.73 117.38 123.77 1lqc n GLN 54 Ca 0.46 0.06 -0.33 0.00 -0.01 0.00 0.00 57.00 57.18 1lqc n GLN 54 Cb 0.45 -0.73 -0.03 0.00 1.02 0.00 0.00 30.24 30.95 1lqc n GLN 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lqc n GLN 55 N -3.41 3.39 0.00 -1.09 -0.00 -1.26 -4.89 117.38 110.11 1lqc n GLN 55 Ca -0.10 -2.87 0.11 0.00 -0.00 0.00 0.00 57.00 54.13 1lqc n GLN 55 Cb 0.46 -2.35 0.64 0.00 -0.00 0.00 0.00 30.24 28.99 1lqc n GLN 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53