#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 0.74 0.29 0.03 0.00 -1.26 -1.31 119.74 118.23 1lqc s LYS 2 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 55.97 55.92 1lqc s LYS 2 Cb 0.00 0.34 0.76 0.00 0.00 0.00 0.00 37.83 38.93 1lqc s LYS 2 CO 0.00 -0.28 1.65 -1.35 0.00 0.00 0.00 175.35 175.37 1lqc h PRO 3 N 2.28 0.24 -2.69 1.78 0.11 -1.92 -3.40 132.00 128.40 1lqc h PRO 3 Ca -0.21 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 1lqc h PRO 3 Cb 1.20 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.02 1lqc h PRO 3 CO 0.31 0.16 -0.21 0.08 -0.21 0.00 0.00 178.00 178.14 1lqc s VAL 4 N -5.89 0.00 -0.80 3.15 1.01 -1.26 -5.08 120.40 111.53 1lqc s VAL 4 Ca -0.12 -0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 1lqc s VAL 4 Cb 0.26 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1lqc s VAL 4 CO 0.77 -0.01 1.84 0.42 0.00 0.00 0.00 175.10 178.13 1lqc s THR 5 N 0.16 3.46 0.17 3.92 -4.23 -1.26 -4.86 115.64 113.01 1lqc s THR 5 Ca -0.01 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1lqc s THR 5 Cb -0.03 -4.11 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1lqc s THR 5 CO 0.01 -1.06 0.33 0.18 -0.54 0.00 0.00 174.62 173.54 1lqc n LEU 6 N 12.92 0.00 -0.21 4.79 4.77 -1.26 -0.75 117.00 137.26 1lqc n LEU 6 Ca 0.31 0.13 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1lqc n LEU 6 Cb 0.49 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.95 1lqc n LEU 6 CO 0.65 -0.13 1.22 1.88 -1.33 0.00 0.00 177.39 179.68 1lqc h TYR 7 N 0.00 0.77 -0.20 -1.77 0.05 -1.97 -1.81 116.97 112.03 1lqc h TYR 7 Ca 0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 1lqc h TYR 7 Cb 0.66 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 38.09 1lqc h TYR 7 CO 0.00 0.37 -0.19 0.22 -1.05 0.00 0.00 178.16 177.52 1lqc h ASP 8 N 0.73 -0.59 -0.43 3.88 3.58 -1.32 0.12 116.42 122.38 1lqc h ASP 8 Ca 0.35 0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.93 1lqc h ASP 8 Cb 0.41 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 1lqc h ASP 8 CO -0.13 -0.23 0.26 0.58 -2.88 0.00 0.00 179.24 176.85 1lqc h VAL 9 N -0.20 1.06 -0.39 2.25 2.07 -1.63 -1.17 116.25 118.24 1lqc h VAL 9 Ca 0.12 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1lqc h VAL 9 Cb 0.38 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1lqc h VAL 9 CO -0.32 0.10 0.13 0.00 0.02 0.00 0.00 177.57 177.50 1lqc h ALA 10 N 1.18 0.45 -0.28 1.67 0.00 -0.86 -0.15 119.26 121.27 1lqc h ALA 10 Ca 0.17 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1lqc h ALA 10 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1lqc h ALA 10 CO -0.07 -0.26 -0.10 0.93 0.00 0.00 0.00 179.25 179.75 1lqc h GLU 11 N 0.29 0.56 -0.28 0.00 3.07 -0.78 0.32 114.58 117.76 1lqc h GLU 11 Ca 0.18 -0.23 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1lqc h GLU 11 Cb 0.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1lqc h GLU 11 CO -0.18 0.79 -0.02 -0.92 -1.40 0.00 0.00 179.01 177.28 1lqc h TYR 12 N 0.31 0.43 0.00 4.33 3.20 -0.71 -2.19 116.97 122.35 1lqc h TYR 12 Ca 0.07 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1lqc h TYR 12 Cb 0.60 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1lqc h TYR 12 CO 0.06 0.45 -1.05 0.00 -1.64 0.00 0.00 178.16 175.98 1lqc n ALA 13 N -2.48 3.26 -1.81 1.82 0.00 -0.12 -5.00 120.51 116.18 1lqc n ALA 13 Ca 0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 1lqc n ALA 13 Cb 0.23 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 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 1.34 0.36 2.84 0.00 0.00 0.93 -4.96 105.19 105.70 1lqc n GLY 14 Ca 0.02 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.29 0.79 0.03 1.61 0.11 -0.11 -4.98 120.40 115.57 1lqc s VAL 15 Ca 0.00 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1lqc s VAL 15 Cb 0.00 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1lqc s VAL 15 CO 0.00 0.21 0.04 -1.54 -3.33 0.00 0.00 175.10 170.48 1lqc n SER 16 N 5.00 -0.22 -0.29 3.54 3.41 -1.26 -4.48 113.62 119.32 1lqc n SER 16 Ca -0.10 0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 1lqc n SER 16 Cb 0.49 -0.10 0.24 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.08 0.69 -0.89 7.33 3.20 -1.95 -1.57 116.97 123.86 1lqc h TYR 17 Ca -0.04 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1lqc h TYR 17 Cb 0.16 -0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.16 1lqc h TYR 17 CO 0.04 0.09 0.49 0.37 -1.64 0.00 0.00 178.16 177.51 1lqc h GLN 18 N 0.52 0.67 -0.02 1.82 5.75 -2.01 -1.30 115.11 120.55 1lqc h GLN 18 Ca 0.49 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.97 1lqc h GLN 18 Cb 0.78 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1lqc h GLN 18 CO -0.42 0.45 -0.13 1.15 -2.65 0.00 0.00 178.83 177.22 1lqc h THR 19 N 0.69 0.67 -0.32 2.39 2.02 -1.61 -2.60 112.91 114.15 1lqc h THR 19 Ca 0.48 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.62 1lqc h THR 19 Cb 0.65 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1lqc h THR 19 CO -0.35 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.19 1lqc h VAL 20 N -0.21 1.23 -0.47 3.16 2.07 -0.97 -0.87 116.25 120.19 1lqc h VAL 20 Ca 0.05 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1lqc h VAL 20 Cb 0.28 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1lqc h VAL 20 CO -0.14 0.26 0.10 0.28 0.02 0.00 0.00 177.57 178.09 1lqc h SER 21 N 0.36 0.66 -0.25 0.57 0.02 -1.28 -0.67 113.55 112.96 1lqc h SER 21 Ca 0.10 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lqc h SER 21 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1lqc h SER 21 CO 0.00 0.67 0.17 0.03 -1.14 0.00 0.00 176.83 176.56 1lqc h ARG 22 N 0.69 0.34 -0.97 3.45 3.08 -1.14 -2.96 114.38 116.86 1lqc h ARG 22 Ca 0.15 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1lqc h ARG 22 Cb 0.28 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1lqc h ARG 22 CO -0.00 0.23 0.64 0.28 -1.07 0.00 0.00 179.97 180.05 1lqc h VAL 23 N 0.34 1.25 -0.28 2.04 2.07 0.25 -1.46 116.25 120.46 1lqc h VAL 23 Ca 0.09 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1lqc h VAL 23 Cb -0.03 -0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.50 1lqc h VAL 23 CO -0.02 0.24 -0.13 0.58 0.02 0.00 0.00 177.57 178.26 1lqc h VAL 24 N 1.31 0.59 -0.13 2.57 2.07 -1.04 0.13 116.25 121.76 1lqc h VAL 24 Ca 0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1lqc h VAL 24 Cb -0.15 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1lqc h VAL 24 CO -0.08 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.10 1lqc n ASN 25 N -5.30 0.83 -0.59 0.57 4.13 -1.13 -4.49 115.26 109.28 1lqc n ASN 25 Ca -0.00 -1.80 -0.08 0.00 1.68 0.00 0.00 54.58 54.38 1lqc n ASN 25 Cb 0.22 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.34 1lqc n ASN 25 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1lqc n GLN 26 N -0.13 -1.54 -3.27 3.52 0.00 0.45 -3.79 117.38 112.63 1lqc n GLN 26 Ca 0.10 0.73 -0.22 0.00 -0.00 0.00 0.00 57.00 57.61 1lqc n GLN 26 Cb 0.16 -5.02 -0.05 0.00 0.00 0.00 0.00 30.24 25.33 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 1.14 -0.89 0.00 1.69 0.00 -0.57 -2.26 120.51 119.62 1lqc n ALA 27 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1lqc n ALA 27 Cb 0.50 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1lqc n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1lqc n SER 28 N -1.12 0.00 -3.21 0.00 7.64 -1.25 -4.61 113.62 111.08 1lqc n SER 28 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1lqc n SER 28 Cb 0.28 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1lqc n SER 28 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1lqc s HIS 29 N 0.00 -1.51 0.15 1.43 0.09 -0.96 -5.17 115.29 109.32 1lqc s HIS 29 Ca 0.00 1.03 0.06 0.00 -0.00 0.00 0.00 55.06 56.15 1lqc s HIS 29 Cb 0.00 0.23 -0.04 0.00 -0.00 0.00 0.00 32.58 32.77 1lqc s HIS 29 CO 0.00 -0.98 -0.14 0.54 -0.00 0.00 0.00 174.74 174.16 1lqc s VAL 30 N 2.74 1.41 0.31 -0.90 0.11 -1.13 -5.10 120.40 117.84 1lqc s VAL 30 Ca 0.13 -1.90 -0.30 0.00 -2.93 0.00 0.00 61.98 56.98 1lqc s VAL 30 Cb -0.12 -1.72 -0.11 0.00 -1.53 0.00 0.00 36.38 32.89 1lqc s VAL 30 CO -0.25 -0.51 1.57 -0.94 -3.33 0.00 0.00 175.10 171.63 1lqc s SER 31 N -2.79 6.37 0.12 3.54 1.04 -1.26 -4.92 113.70 115.79 1lqc s SER 31 Ca 0.14 2.97 -0.26 0.00 0.48 0.00 0.00 55.95 59.28 1lqc s SER 31 Cb -0.03 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 1lqc s SER 31 CO 0.03 -0.90 1.65 0.00 0.98 0.00 0.00 173.24 175.00 1lqc h ALA 32 N 4.42 -0.35 -0.96 5.32 0.00 -2.01 -2.19 119.26 123.49 1lqc h ALA 32 Ca -0.48 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.54 1lqc h ALA 32 Cb 1.22 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 1lqc h ALA 32 CO 0.76 -0.75 0.61 0.87 0.00 0.00 0.00 179.25 180.74 1lqc h LYS 33 N -0.40 0.85 0.18 0.00 6.56 -1.99 0.10 116.57 121.88 1lqc h LYS 33 Ca 0.04 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1lqc h LYS 33 Cb 0.45 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1lqc h LYS 33 CO -0.17 0.57 -0.09 1.15 -2.06 0.00 0.00 179.45 178.85 1lqc h THR 34 N 0.88 0.86 -0.58 -0.16 2.02 -1.82 -2.76 112.91 111.36 1lqc h THR 34 Ca 0.48 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1lqc h THR 34 Cb 0.58 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1lqc h THR 34 CO -0.25 0.05 0.30 0.03 0.37 0.00 0.00 175.52 176.02 1lqc h ARG 35 N -0.35 0.55 -0.53 6.66 3.08 -0.75 -2.84 114.38 120.21 1lqc h ARG 35 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1lqc h ARG 35 Cb 0.27 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1lqc h ARG 35 CO 0.04 0.37 0.27 0.93 -1.07 0.00 0.00 179.97 180.51 1lqc h GLU 36 N 0.57 0.73 -0.01 0.04 4.39 -0.56 0.16 114.58 119.89 1lqc h GLU 36 Ca 0.26 -0.08 -0.21 0.00 0.34 0.00 0.00 59.36 59.67 1lqc h GLU 36 Cb 0.17 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1lqc h GLU 36 CO -0.18 0.55 -0.80 -0.22 -1.16 0.00 0.00 179.01 177.21 1lqc h LYS 37 N 0.73 0.57 -0.15 2.33 3.64 -1.33 -0.95 116.57 121.42 1lqc h LYS 37 Ca 0.19 -0.59 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1lqc h LYS 37 Cb 0.05 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1lqc h LYS 37 CO -0.03 1.21 0.08 0.28 -2.27 0.00 0.00 179.45 178.72 1lqc h VAL 38 N 0.16 1.10 -0.91 2.00 2.07 -1.04 -0.34 116.25 119.30 1lqc h VAL 38 Ca -0.10 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.25 1lqc h VAL 38 Cb 1.48 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 1lqc h VAL 38 CO 0.16 0.09 0.54 -0.33 0.02 0.00 0.00 177.57 178.06 1lqc h GLU 39 N 0.13 0.87 0.07 1.57 5.08 -0.50 0.32 114.58 122.12 1lqc h GLU 39 Ca 0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lqc h GLU 39 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1lqc h GLU 39 CO -0.01 0.57 -0.03 0.00 -1.00 0.00 0.00 179.01 178.54 1lqc h ALA 40 N 1.49 -0.10 -0.69 3.43 0.00 -0.78 -2.94 119.26 119.67 1lqc h ALA 40 Ca 0.44 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1lqc h ALA 40 Cb 0.41 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1lqc h ALA 40 CO -0.25 -0.39 0.43 0.00 0.00 0.00 0.00 179.25 179.03 1lqc h ALA 41 N 0.48 0.91 -0.32 0.00 0.00 0.17 -2.78 119.26 117.72 1lqc h ALA 41 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1lqc h ALA 41 Cb 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1lqc h ALA 41 CO 0.02 0.18 0.14 0.52 0.00 0.00 0.00 179.25 180.11 1lqc h MET 42 N 0.83 0.29 -0.23 0.00 2.07 -0.34 -0.61 114.93 116.94 1lqc h MET 42 Ca 0.28 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.88 1lqc h MET 42 Cb 0.05 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1lqc h MET 42 CO -0.12 0.19 0.08 0.00 1.07 0.00 0.00 176.91 178.13 1lqc h ALA 43 N 1.18 0.30 -0.54 6.32 0.00 -1.32 -0.60 119.26 124.60 1lqc h ALA 43 Ca 0.14 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1lqc h ALA 43 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1lqc h ALA 43 CO -0.11 -0.08 0.02 0.93 0.00 0.00 0.00 179.25 180.00 1lqc h GLU 44 N 0.21 0.94 -0.48 0.00 4.39 -1.10 -2.20 114.58 116.34 1lqc h GLU 44 Ca 0.08 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1lqc h GLU 44 Cb 0.21 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1lqc h GLU 44 CO -0.00 0.94 0.00 1.28 -1.16 0.00 0.00 179.01 180.07 1lqc n LEU 45 N -4.29 2.14 -2.73 1.33 4.77 -0.32 -4.93 117.00 112.97 1lqc n LEU 45 Ca 0.02 -1.07 -0.20 0.00 -0.03 0.00 0.00 56.01 54.73 1lqc n LEU 45 Cb 0.31 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1lqc n LEU 45 CO 0.43 0.42 -0.13 -0.46 -1.33 0.00 0.00 177.39 176.32 1lqc n ASN 46 N 0.38 -5.28 -4.88 -1.43 6.94 -0.83 -4.94 115.26 105.23 1lqc n ASN 46 Ca 0.11 -0.10 -0.21 0.00 -0.02 0.00 0.00 54.58 54.36 1lqc n ASN 46 Cb 0.39 -4.36 0.06 0.00 -2.36 0.00 0.00 39.78 33.52 1lqc n ASN 46 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1lqc s TYR 47 N -2.98 2.14 -0.18 -2.53 5.04 -0.25 -4.91 117.35 113.67 1lqc s TYR 47 Ca 0.15 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.45 1lqc s TYR 47 Cb -0.07 -2.70 0.09 0.00 0.35 0.00 0.00 41.96 39.63 1lqc s TYR 47 CO 0.18 -1.17 0.29 -1.50 -1.34 0.00 0.00 175.55 172.02 1lqc s ILE 48 N -2.83 -0.46 0.33 3.14 -1.16 -1.26 -4.59 121.20 114.37 1lqc s ILE 48 Ca 0.61 0.11 -0.20 0.00 -0.51 0.00 0.00 60.65 60.66 1lqc s ILE 48 Cb -0.08 -0.59 -0.14 0.00 0.61 0.00 0.00 42.46 42.26 1lqc s ILE 48 CO 0.40 -0.01 0.14 -2.65 -2.81 0.00 0.00 174.94 170.01 1lqc n PRO 49 N 5.35 0.00 -3.62 3.50 -0.02 -1.26 -2.47 135.00 136.48 1lqc n PRO 49 Ca -0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.15 1lqc n PRO 49 Cb 0.50 -0.89 -0.05 0.00 -0.02 0.00 0.00 33.50 33.04 1lqc n PRO 49 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lqc n ASN 50 N 2.03 -1.37 -3.87 2.55 4.13 -1.26 -4.91 115.26 112.56 1lqc n ASN 50 Ca 0.11 -0.71 -0.42 0.00 1.68 0.00 0.00 54.58 55.24 1lqc n ASN 50 Cb 0.33 -1.23 0.01 0.00 -1.54 0.00 0.00 39.78 37.35 1lqc n ASN 50 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1lqc n ARG 51 N -3.17 3.91 -0.85 3.52 5.12 -1.03 -4.97 116.66 119.20 1lqc n ARG 51 Ca 0.08 -3.79 -0.29 0.00 -1.93 0.00 0.00 57.85 51.92 1lqc n ARG 51 Cb 0.39 -2.80 0.20 0.00 -1.16 0.00 0.00 32.46 29.09 1lqc n ARG 51 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1lqc s VAL 52 N -0.55 2.16 -0.17 1.55 -7.23 -1.26 -4.58 120.40 110.33 1lqc s VAL 52 Ca 0.38 0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 60.30 1lqc s VAL 52 Cb 0.09 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.65 1lqc s VAL 52 CO 0.02 -0.07 2.11 0.00 -0.31 0.00 0.00 175.10 176.85 1lqc n ALA 53 N -4.46 1.48 0.01 1.32 0.00 -1.26 -4.57 120.51 113.02 1lqc n ALA 53 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1lqc n ALA 53 Cb 0.55 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 8.06 0.00 -2.10 0.00 6.02 -0.43 -5.00 117.38 123.94 1lqc n GLN 54 Ca 0.29 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.85 1lqc n GLN 54 Cb 0.38 -0.32 -0.03 0.00 1.02 0.00 0.00 30.24 31.29 1lqc n GLN 54 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1lqc s GLN 55 N -2.00 3.81 0.00 -1.09 1.11 -0.98 -5.08 119.66 115.43 1lqc s GLN 55 Ca 0.00 1.70 0.11 0.00 0.01 0.00 0.00 55.36 57.18 1lqc s GLN 55 Cb 0.00 -4.04 0.65 0.00 -1.01 0.00 0.00 33.01 28.61 1lqc s GLN 55 CO 0.00 -1.27 1.09 -0.11 0.01 0.00 0.00 175.29 175.01