#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 0.23 0.00 0.03 0.00 -1.26 -3.16 119.74 115.57 1lqc s LYS 2 Ca 0.00 0.48 0.28 0.00 0.00 0.00 0.00 55.97 56.73 1lqc s LYS 2 Cb 0.00 0.28 1.02 0.00 0.00 0.00 0.00 37.83 39.14 1lqc s LYS 2 CO 0.00 -0.17 1.76 -2.30 0.00 0.00 0.00 175.35 174.64 1lqc n PRO 3 N 5.20 0.21 -3.58 1.78 -0.02 -1.26 -4.93 135.00 132.40 1lqc n PRO 3 Ca -0.07 -0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.19 1lqc n PRO 3 Cb 0.53 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 1lqc n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lqc s VAL 4 N -2.84 0.00 -0.08 -1.45 1.01 -1.26 -5.08 120.40 110.71 1lqc s VAL 4 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 1lqc s VAL 4 Cb 0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1lqc s VAL 4 CO 0.56 0.00 0.38 0.42 0.00 0.00 0.00 175.10 176.47 1lqc s THR 5 N -0.49 5.16 0.64 3.92 -4.23 -1.26 -4.98 115.64 114.39 1lqc s THR 5 Ca -0.05 0.77 0.27 0.00 -1.18 0.00 0.00 61.69 61.50 1lqc s THR 5 Cb -0.02 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.42 1lqc s THR 5 CO 0.04 0.47 1.81 -0.07 -0.54 0.00 0.00 174.62 176.33 1lqc h LEU 6 N 5.73 0.00 -1.77 4.79 3.38 -1.93 -1.08 115.31 124.43 1lqc h LEU 6 Ca -0.46 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.55 1lqc h LEU 6 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1lqc h LEU 6 CO 0.68 0.00 0.25 1.88 0.09 0.00 0.00 178.44 181.34 1lqc h TYR 7 N 0.00 0.29 0.22 1.13 0.05 -1.93 0.50 116.97 117.22 1lqc h TYR 7 Ca 0.10 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1lqc h TYR 7 Cb 1.05 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1lqc h TYR 7 CO 0.00 0.16 -0.11 0.22 -1.05 0.00 0.00 178.16 177.39 1lqc h ASP 8 N 0.30 -0.25 -0.61 3.88 3.58 -1.59 0.37 116.42 122.09 1lqc h ASP 8 Ca 0.16 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.61 1lqc h ASP 8 Cb 0.25 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1lqc h ASP 8 CO -0.03 -0.11 0.32 0.58 -2.88 0.00 0.00 179.24 177.12 1lqc h VAL 9 N -0.37 0.94 0.08 2.25 2.07 -1.41 -1.79 116.25 118.01 1lqc h VAL 9 Ca -0.03 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1lqc h VAL 9 Cb 0.29 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1lqc h VAL 9 CO 0.05 0.11 -0.11 0.00 0.02 0.00 0.00 177.57 177.64 1lqc h ALA 10 N 1.33 -0.20 -0.51 1.67 0.00 -0.72 0.04 119.26 120.87 1lqc h ALA 10 Ca 0.28 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1lqc h ALA 10 Cb 0.19 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1lqc h ALA 10 CO -0.19 -0.63 -0.17 0.93 0.00 0.00 0.00 179.25 179.19 1lqc h GLU 11 N -0.24 1.01 -0.22 0.00 3.07 -0.78 0.28 114.58 117.70 1lqc h GLU 11 Ca 0.02 -0.41 -0.09 0.00 -0.50 0.00 0.00 59.36 58.38 1lqc h GLU 11 Cb 0.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1lqc h GLU 11 CO -0.06 1.09 -0.26 -0.92 -1.40 0.00 0.00 179.01 177.47 1lqc h TYR 12 N 0.88 0.47 0.00 4.33 3.20 -0.78 -2.20 116.97 122.88 1lqc h TYR 12 Ca 0.12 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1lqc h TYR 12 Cb 0.75 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1lqc h TYR 12 CO 0.05 0.65 -0.55 0.00 -1.64 0.00 0.00 178.16 176.66 1lqc n ALA 13 N -2.48 3.41 -1.17 1.82 0.00 -0.05 -4.98 120.51 117.05 1lqc n ALA 13 Ca -0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1lqc n ALA 13 Cb 0.40 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 1.46 0.82 3.34 0.00 0.00 0.87 -4.94 105.19 106.74 1lqc n GLY 14 Ca 0.05 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.13 2.40 -0.26 1.61 0.11 -0.60 -4.96 120.40 116.56 1lqc s VAL 15 Ca 0.00 -0.95 -0.36 0.00 -2.93 0.00 0.00 61.98 57.74 1lqc s VAL 15 Cb 0.00 -1.90 -0.16 0.00 -1.53 0.00 0.00 36.38 32.79 1lqc s VAL 15 CO 0.00 0.57 1.15 -1.54 -3.33 0.00 0.00 175.10 171.95 1lqc n SER 16 N 2.77 0.63 -0.25 3.54 3.41 -1.26 -4.46 113.62 118.00 1lqc n SER 16 Ca -0.17 0.96 0.10 0.00 -0.26 0.00 0.00 58.87 59.50 1lqc n SER 16 Cb 0.52 -0.73 0.20 0.00 -0.26 0.00 0.00 64.21 63.94 1lqc n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lqc n TYR 17 N 2.53 0.44 0.24 7.33 9.36 -1.26 -1.13 117.16 134.67 1lqc n TYR 17 Ca 0.22 0.86 0.09 0.00 3.32 0.00 0.00 57.90 62.39 1lqc n TYR 17 Cb -0.01 -1.03 0.65 0.00 -0.63 0.00 0.00 39.34 38.32 1lqc n TYR 17 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1lqc h GLN 18 N 0.00 0.00 -0.41 2.98 -0.00 -2.01 -1.12 115.11 114.55 1lqc h GLN 18 Ca 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 59.09 1lqc h GLN 18 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.32 1lqc h GLN 18 CO -0.67 0.00 0.25 1.79 -0.00 0.00 0.00 178.83 180.20 1lqc h THR 19 N 0.00 1.06 -0.16 1.86 1.35 -1.48 -2.67 112.91 112.87 1lqc h THR 19 Ca 0.02 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 1lqc h THR 19 Cb 0.08 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1lqc h THR 19 CO -0.00 0.09 0.00 0.58 -0.25 0.00 0.00 175.52 175.95 1lqc h VAL 20 N 0.51 1.25 -0.43 6.82 2.07 -1.27 -1.24 116.25 123.96 1lqc h VAL 20 Ca 0.16 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1lqc h VAL 20 Cb -0.01 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1lqc h VAL 20 CO -0.07 0.24 0.19 0.28 0.02 0.00 0.00 177.57 178.24 1lqc h SER 21 N 0.02 0.53 -0.09 0.57 0.02 -1.30 -0.15 113.55 113.15 1lqc h SER 21 Ca 0.04 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1lqc h SER 21 Cb 0.36 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1lqc h SER 21 CO 0.01 0.47 0.06 0.03 -1.14 0.00 0.00 176.83 176.25 1lqc h ARG 22 N 0.60 0.13 -0.40 3.45 3.08 -1.23 -3.06 114.38 116.95 1lqc h ARG 22 Ca 0.15 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1lqc h ARG 22 Cb 0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1lqc h ARG 22 CO -0.02 0.13 0.22 0.28 -1.07 0.00 0.00 179.97 179.51 1lqc h VAL 23 N 0.09 1.15 -0.55 2.04 2.07 0.14 -1.66 116.25 119.53 1lqc h VAL 23 Ca 0.03 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1lqc h VAL 23 Cb 0.03 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1lqc h VAL 23 CO -0.01 0.15 0.31 0.58 0.02 0.00 0.00 177.57 178.63 1lqc h VAL 24 N 0.51 1.01 -0.41 2.57 2.07 -1.04 0.12 116.25 121.09 1lqc h VAL 24 Ca 0.14 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 1lqc h VAL 24 Cb 0.05 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1lqc h VAL 24 CO -0.02 0.11 0.15 0.59 0.02 0.00 0.00 177.57 178.42 1lqc n ASN 25 N -4.81 3.51 0.00 0.57 5.03 -1.14 -4.69 115.26 113.74 1lqc n ASN 25 Ca 0.05 -2.66 0.00 0.00 0.87 0.00 0.00 54.58 52.84 1lqc n ASN 25 Cb 0.11 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 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 0.03 -0.31 -2.84 3.52 0.00 0.41 -4.03 117.38 114.16 1lqc n GLN 26 Ca 0.22 0.08 -0.19 0.00 0.00 0.00 0.00 57.00 57.12 1lqc n GLN 26 Cb 0.93 -4.29 -0.04 0.00 0.00 0.00 0.00 30.24 26.84 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 1.00 -0.53 0.00 2.61 0.00 -0.64 -2.69 120.51 120.26 1lqc n ALA 27 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1lqc n ALA 27 Cb 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.63 0.00 -3.29 0.00 3.41 -1.26 -4.60 113.62 107.26 1lqc n SER 28 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 1lqc n SER 28 Cb 0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.08 0.11 7.33 3.76 -1.09 -5.17 115.29 119.14 1lqc s HIS 29 Ca 0.00 0.71 0.08 0.00 -0.15 0.00 0.00 55.06 55.70 1lqc s HIS 29 Cb 0.00 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1lqc s HIS 29 CO 0.00 -0.89 -0.20 0.54 -0.85 0.00 0.00 174.74 173.34 1lqc s VAL 30 N 2.60 1.66 0.33 -0.90 0.11 -1.23 -5.14 120.40 117.84 1lqc s VAL 30 Ca 0.12 -1.59 -0.29 0.00 -2.93 0.00 0.00 61.98 57.29 1lqc s VAL 30 Cb -0.14 -1.56 -0.11 0.00 -1.53 0.00 0.00 36.38 33.04 1lqc s VAL 30 CO -0.24 -0.13 1.54 -1.54 -3.33 0.00 0.00 175.10 171.41 1lqc n SER 31 N 0.96 3.82 -0.02 3.54 3.41 -1.26 -4.91 113.62 119.16 1lqc n SER 31 Ca -0.19 1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1lqc n SER 31 Cb 0.54 -1.61 -0.08 0.00 -0.26 0.00 0.00 64.21 62.80 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 3.89 -0.82 -0.89 7.33 0.00 -2.00 -1.20 119.26 125.57 1lqc h ALA 32 Ca -0.49 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 54.56 1lqc h ALA 32 Cb 1.23 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 19.92 1lqc h ALA 32 CO 0.72 -0.99 0.58 0.87 0.00 0.00 0.00 179.25 180.43 1lqc h LYS 33 N -0.48 0.49 0.45 0.00 6.56 -1.99 0.34 116.57 121.94 1lqc h LYS 33 Ca 0.03 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1lqc h LYS 33 Cb 0.57 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1lqc h LYS 33 CO -0.39 0.33 -0.21 1.15 -2.06 0.00 0.00 179.45 178.26 1lqc h THR 34 N 0.51 0.26 -0.46 -0.16 2.02 -1.88 -3.20 112.91 109.99 1lqc h THR 34 Ca 0.46 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1lqc h THR 34 Cb 1.00 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1lqc h THR 34 CO -0.19 0.05 0.05 0.03 0.37 0.00 0.00 175.52 175.83 1lqc h ARG 35 N -1.06 0.17 -0.81 6.66 3.08 -0.08 -2.52 114.38 119.82 1lqc h ARG 35 Ca -0.06 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1lqc h ARG 35 Cb 0.54 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.50 1lqc h ARG 35 CO 0.10 0.11 0.53 1.05 -1.07 0.00 0.00 179.97 180.69 1lqc h GLU 36 N 0.18 0.74 0.06 0.04 4.11 -0.44 0.32 114.58 119.59 1lqc h GLU 36 Ca 0.23 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.45 1lqc h GLU 36 Cb 0.31 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.41 1lqc h GLU 36 CO -0.33 0.49 -0.66 -0.22 0.07 0.00 0.00 179.01 178.36 1lqc h LYS 37 N 0.76 0.34 -0.10 1.06 3.64 -1.46 -0.84 116.57 119.97 1lqc h LYS 37 Ca 0.37 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1lqc h LYS 37 Cb 0.42 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1lqc h LYS 37 CO -0.14 1.15 0.01 0.28 -2.27 0.00 0.00 179.45 178.48 1lqc h VAL 38 N -0.25 1.22 -1.01 2.00 2.07 -0.83 -0.94 116.25 118.52 1lqc h VAL 38 Ca -0.10 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1lqc h VAL 38 Cb 1.43 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 1lqc h VAL 38 CO 0.13 0.20 0.66 -0.33 0.02 0.00 0.00 177.57 178.25 1lqc h GLU 39 N -0.07 1.27 0.24 1.57 5.08 -0.36 0.46 114.58 122.78 1lqc h GLU 39 Ca 0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1lqc h GLU 39 Cb 0.30 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1lqc h GLU 39 CO 0.00 0.84 -0.12 0.00 -1.00 0.00 0.00 179.01 178.74 1lqc h ALA 40 N 1.40 -0.32 -0.82 3.43 0.00 -0.86 -2.63 119.26 119.45 1lqc h ALA 40 Ca 0.39 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1lqc h ALA 40 Cb -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1lqc h ALA 40 CO -0.11 -0.59 0.54 0.00 0.00 0.00 0.00 179.25 179.09 1lqc h ALA 41 N 0.20 1.59 0.46 0.00 0.00 -0.62 -3.06 119.26 117.83 1lqc h ALA 41 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1lqc h ALA 41 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1lqc h ALA 41 CO 0.05 0.28 -0.31 0.52 0.00 0.00 0.00 179.25 179.80 1lqc h MET 42 N 0.91 -0.71 -0.64 0.00 2.07 0.28 -0.66 114.93 116.18 1lqc h MET 42 Ca 0.35 0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 58.00 1lqc h MET 42 Cb 0.22 0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 1lqc h MET 42 CO -0.13 -0.48 0.28 0.00 1.07 0.00 0.00 176.91 177.65 1lqc h ALA 43 N -0.27 0.82 -0.59 6.32 0.00 -1.43 -1.67 119.26 122.44 1lqc h ALA 43 Ca -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1lqc h ALA 43 Cb 0.62 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1lqc h ALA 43 CO 0.03 0.42 0.21 0.93 0.00 0.00 0.00 179.25 180.84 1lqc h GLU 44 N 0.88 0.86 -0.65 0.00 5.08 -1.29 -1.31 114.58 118.15 1lqc h GLU 44 Ca 0.21 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1lqc h GLU 44 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1lqc h GLU 44 CO -0.02 0.72 0.00 1.28 -1.00 0.00 0.00 179.01 179.99 1lqc n LEU 45 N -4.31 3.86 -3.69 1.33 4.77 -0.32 -4.93 117.00 113.71 1lqc n LEU 45 Ca 0.05 -1.95 -0.22 0.00 -0.03 0.00 0.00 56.01 53.86 1lqc n LEU 45 Cb 0.18 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1lqc n LEU 45 CO 0.39 0.57 -0.02 -0.46 -1.33 0.00 0.00 177.39 176.54 1lqc n ASN 46 N 0.63 -1.68 -4.81 -1.43 6.94 -0.50 -4.89 115.26 109.52 1lqc n ASN 46 Ca 0.19 -0.79 -0.24 0.00 -0.02 0.00 0.00 54.58 53.73 1lqc n ASN 46 Cb 0.77 -4.19 -0.05 0.00 -2.36 0.00 0.00 39.78 33.95 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 -3.60 3.12 -0.34 -2.53 5.04 -0.66 -4.79 117.35 113.60 1lqc s TYR 47 Ca 0.07 -0.07 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1lqc s TYR 47 Cb -0.04 -1.44 0.13 0.00 0.35 0.00 0.00 41.96 40.96 1lqc s TYR 47 CO 0.80 0.52 0.20 -1.50 -1.34 0.00 0.00 175.55 174.23 1lqc s ILE 48 N -1.97 0.08 -0.48 3.14 -1.16 -1.26 -4.58 121.20 114.96 1lqc s ILE 48 Ca 0.32 -1.50 -0.40 0.00 -0.51 0.00 0.00 60.65 58.56 1lqc s ILE 48 Cb -0.09 -1.08 -0.17 0.00 0.61 0.00 0.00 42.46 41.74 1lqc s ILE 48 CO 0.24 -0.93 2.19 -2.65 -2.81 0.00 0.00 174.94 170.98 1lqc n PRO 49 N 4.29 0.35 0.00 3.50 -0.02 -1.26 -4.58 135.00 137.28 1lqc n PRO 49 Ca 0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1lqc n PRO 49 Cb 0.38 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1lqc n PRO 49 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1lqc n ASN 50 N 8.52 0.00 -1.76 2.55 4.05 -1.26 -5.10 115.26 122.25 1lqc n ASN 50 Ca 0.51 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.54 1lqc n ASN 50 Cb 0.06 0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.24 1lqc n ASN 50 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1lqc n ARG 51 N -1.84 -3.43 -1.73 1.20 5.12 -1.25 -4.78 116.66 109.96 1lqc n ARG 51 Ca 0.00 2.65 -0.30 0.00 -1.93 0.00 0.00 57.85 58.27 1lqc n ARG 51 Cb 0.00 -3.08 0.07 0.00 -1.16 0.00 0.00 32.46 28.29 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 -0.37 3.18 -1.12 1.55 -7.23 -1.19 -4.99 120.40 110.23 1lqc s VAL 52 Ca 0.00 0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 60.33 1lqc s VAL 52 Cb 0.00 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1lqc s VAL 52 CO 0.00 -0.50 1.87 0.00 -0.31 0.00 0.00 175.10 176.16 1lqc s ALA 53 N -3.28 2.06 -0.01 1.32 0.00 -1.26 -4.43 121.76 116.15 1lqc s ALA 53 Ca 0.60 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1lqc s ALA 53 Cb -0.13 -4.63 -0.02 0.00 0.00 0.00 0.00 23.12 18.34 1lqc s ALA 53 CO 0.53 -4.73 0.00 1.04 0.00 0.00 0.00 175.76 172.60 1lqc n GLN 54 N 8.48 3.45 -2.65 0.00 6.02 -1.26 -4.92 117.38 126.50 1lqc n GLN 54 Ca 0.43 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.37 1lqc n GLN 54 Cb 0.47 -1.03 0.10 0.00 1.02 0.00 0.00 30.24 30.80 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 -2.09 1.08 0.00 -1.09 -0.00 -1.26 -5.17 117.38 108.85 1lqc n GLN 55 Ca -0.02 -1.51 0.00 0.00 -0.00 0.00 0.00 57.00 55.47 1lqc n GLN 55 Cb 0.54 0.07 0.00 0.00 -0.00 0.00 0.00 30.24 30.85 1lqc n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34