#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqc n LYS 2 N 0.00 -1.93 0.16 3.17 4.81 -1.26 -4.88 118.16 118.23 1lqc n LYS 2 Ca 0.00 0.93 0.10 0.00 -0.87 0.00 0.00 58.31 58.47 1lqc n LYS 2 Cb 0.00 -5.53 0.08 0.00 0.02 0.00 0.00 35.03 29.59 1lqc n LYS 2 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1lqc h PRO 3 N -0.73 0.00 -2.52 1.64 0.13 -1.93 -3.49 132.00 125.10 1lqc h PRO 3 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1lqc h PRO 3 Cb 1.23 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 1lqc h PRO 3 CO 0.38 0.08 0.16 0.54 -0.23 0.00 0.00 178.00 178.94 1lqc s VAL 4 N -3.21 0.01 -0.02 1.56 0.11 -1.26 -5.07 120.40 112.51 1lqc s VAL 4 Ca 0.03 -0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 1lqc s VAL 4 Cb 0.07 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 1lqc s VAL 4 CO 0.73 -0.03 0.51 0.42 -3.33 0.00 0.00 175.10 173.40 1lqc s THR 5 N -2.36 4.99 0.46 5.04 -4.23 -1.26 -4.97 115.64 113.31 1lqc s THR 5 Ca -0.06 1.06 0.29 0.00 -1.18 0.00 0.00 61.69 61.80 1lqc s THR 5 Cb -0.01 -3.84 0.29 0.00 1.34 0.00 0.00 72.50 70.28 1lqc s THR 5 CO -0.01 0.46 1.86 -0.07 -0.54 0.00 0.00 174.62 176.32 1lqc h LEU 6 N 5.52 0.00 -1.65 4.79 3.38 -2.01 -2.26 115.31 123.09 1lqc h LEU 6 Ca -0.46 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.64 1lqc h LEU 6 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1lqc h LEU 6 CO 0.68 0.00 0.46 1.88 0.09 0.00 0.00 178.44 181.55 1lqc h TYR 7 N 0.00 0.41 -0.14 1.13 0.05 -1.97 0.96 116.97 117.42 1lqc h TYR 7 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1lqc h TYR 7 Cb 0.47 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1lqc h TYR 7 CO 0.00 0.17 0.02 0.22 -1.05 0.00 0.00 178.16 177.52 1lqc h ASP 8 N 0.37 0.23 -0.54 3.88 1.82 -1.81 0.85 116.42 121.22 1lqc h ASP 8 Ca 0.33 -0.28 0.06 0.00 -0.39 0.00 0.00 57.03 56.75 1lqc h ASP 8 Cb 0.77 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1lqc h ASP 8 CO -0.09 0.45 0.23 0.58 -1.61 0.00 0.00 179.24 178.80 1lqc h VAL 9 N 0.01 0.87 0.13 2.25 2.07 -1.39 0.37 116.25 120.57 1lqc h VAL 9 Ca 0.04 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1lqc h VAL 9 Cb 0.32 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1lqc h VAL 9 CO 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 177.57 177.39 1lqc h ALA 10 N 1.33 -0.50 -0.57 1.67 0.00 -0.35 0.20 119.26 121.03 1lqc h ALA 10 Ca 0.25 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1lqc h ALA 10 Cb 0.23 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1lqc h ALA 10 CO -0.22 -0.83 0.08 0.93 0.00 0.00 0.00 179.25 179.21 1lqc h GLU 11 N -0.51 0.92 -0.29 0.00 3.07 -0.50 0.26 114.58 117.52 1lqc h GLU 11 Ca 0.03 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.58 1lqc h GLU 11 Cb 0.53 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1lqc h GLU 11 CO -0.16 0.86 -0.16 -0.92 -1.40 0.00 0.00 179.01 177.23 1lqc h TYR 12 N 0.87 0.57 -0.01 4.33 3.20 -0.48 -1.59 116.97 123.87 1lqc h TYR 12 Ca 0.18 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1lqc h TYR 12 Cb 0.40 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1lqc h TYR 12 CO 0.02 0.66 -0.27 0.00 -1.64 0.00 0.00 178.16 176.94 1lqc n ALA 13 N -2.48 3.10 -1.61 1.82 0.00 0.02 -4.97 120.51 116.39 1lqc n ALA 13 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1lqc n ALA 13 Cb 0.35 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 0.75 3.20 0.00 0.00 0.65 -4.99 105.19 106.14 1lqc n GLY 14 Ca 0.12 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.43 1.67 0.30 1.61 0.11 0.30 -4.93 120.40 117.03 1lqc s VAL 15 Ca 0.00 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 57.89 1lqc s VAL 15 Cb 0.00 -1.41 -0.13 0.00 -1.53 0.00 0.00 36.38 33.31 1lqc s VAL 15 CO 0.00 0.47 1.31 -1.54 -3.33 0.00 0.00 175.10 172.02 1lqc n SER 16 N 2.88 2.67 -0.15 3.54 3.41 -1.26 -4.18 113.62 120.53 1lqc n SER 16 Ca -0.17 1.18 0.28 0.00 -0.26 0.00 0.00 58.87 59.91 1lqc n SER 16 Cb 0.53 -1.45 0.72 0.00 -0.26 0.00 0.00 64.21 63.74 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 3.12 0.00 -0.74 7.33 3.20 -1.95 -2.28 116.97 125.65 1lqc h TYR 17 Ca -0.45 0.00 0.17 0.00 3.14 0.00 0.00 58.73 61.59 1lqc h TYR 17 Cb 1.28 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.43 1lqc h TYR 17 CO 0.53 0.00 0.03 0.37 -1.64 0.00 0.00 178.16 177.45 1lqc h GLN 18 N 0.00 0.12 0.11 1.82 5.75 -2.00 -1.17 115.11 119.74 1lqc h GLN 18 Ca 0.41 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1lqc h GLN 18 Cb 1.79 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.30 1lqc h GLN 18 CO -0.00 0.08 -0.10 1.79 -2.65 0.00 0.00 178.83 177.94 1lqc h THR 19 N 0.12 0.77 0.16 2.39 1.35 -1.76 -2.02 112.91 113.92 1lqc h THR 19 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.26 1lqc h THR 19 Cb 0.72 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1lqc h THR 19 CO -0.63 0.00 -0.08 0.58 -0.25 0.00 0.00 175.52 175.14 1lqc h VAL 20 N -0.23 0.91 -0.89 6.82 2.07 -1.52 0.20 116.25 123.61 1lqc h VAL 20 Ca 0.00 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1lqc h VAL 20 Cb 0.22 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1lqc h VAL 20 CO -0.02 0.07 0.58 -1.28 0.02 0.00 0.00 177.57 176.94 1lqc h SER 21 N -0.36 0.98 -0.48 0.57 0.87 -1.17 -0.42 113.55 113.54 1lqc h SER 21 Ca -0.02 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1lqc h SER 21 Cb 0.28 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1lqc h SER 21 CO 0.04 0.69 0.31 0.03 -0.53 0.00 0.00 176.83 177.36 1lqc h ARG 22 N 1.15 0.63 -0.65 2.24 3.08 -0.80 -3.03 114.38 117.00 1lqc h ARG 22 Ca 0.35 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.40 1lqc h ARG 22 Cb -0.04 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.82 1lqc h ARG 22 CO -0.10 0.43 0.38 0.28 -1.07 0.00 0.00 179.97 179.89 1lqc h VAL 23 N 0.64 1.01 -0.82 2.04 2.07 0.57 0.01 116.25 121.78 1lqc h VAL 23 Ca 0.17 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1lqc h VAL 23 Cb -0.06 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 1lqc h VAL 23 CO -0.04 0.13 0.52 0.58 0.02 0.00 0.00 177.57 178.78 1lqc h VAL 24 N 0.72 1.09 -0.19 2.57 2.07 -1.06 0.78 116.25 122.22 1lqc h VAL 24 Ca 0.28 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1lqc h VAL 24 Cb 0.12 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1lqc h VAL 24 CO -0.15 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.21 1lqc n ASN 25 N -4.60 1.95 -1.11 0.57 5.03 -0.95 -4.33 115.26 111.81 1lqc n ASN 25 Ca 0.11 -1.75 -0.14 0.00 0.87 0.00 0.00 54.58 53.67 1lqc n ASN 25 Cb 0.12 -0.12 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 1lqc n ASN 25 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1lqc n GLN 26 N 0.51 -1.58 -2.45 3.52 0.00 0.27 -3.71 117.38 113.93 1lqc n GLN 26 Ca 0.17 0.93 -0.14 0.00 -0.00 0.00 0.00 57.00 57.96 1lqc n GLN 26 Cb 0.38 -5.27 -0.03 0.00 0.00 0.00 0.00 30.24 25.32 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 1.09 -0.45 0.00 1.69 0.00 -0.08 -1.39 120.51 121.37 1lqc n ALA 27 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1lqc n ALA 27 Cb 0.58 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.46 0.00 -2.75 0.00 3.41 -1.24 -4.67 113.62 107.91 1lqc n SER 28 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.61 1lqc n SER 28 Cb 0.17 -0.04 0.01 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 -1.47 0.08 7.33 3.76 -0.49 -5.16 115.29 119.34 1lqc s HIS 29 Ca 0.00 -0.51 0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1lqc s HIS 29 Cb 0.00 0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.95 1lqc s HIS 29 CO 0.00 -1.16 -0.20 0.54 -0.85 0.00 0.00 174.74 173.06 1lqc s VAL 30 N 0.89 2.64 0.27 -0.90 0.11 -1.11 -5.12 120.40 117.18 1lqc s VAL 30 Ca 0.29 -1.40 -0.30 0.00 -2.93 0.00 0.00 61.98 57.65 1lqc s VAL 30 Cb 0.01 -2.14 -0.11 0.00 -1.53 0.00 0.00 36.38 32.62 1lqc s VAL 30 CO -0.06 0.23 1.51 -0.94 -3.33 0.00 0.00 175.10 172.52 1lqc s SER 31 N -1.72 6.52 0.05 3.54 1.04 -1.26 -4.97 113.70 116.89 1lqc s SER 31 Ca 0.15 2.80 -0.13 0.00 0.48 0.00 0.00 55.95 59.26 1lqc s SER 31 Cb -0.10 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1lqc s SER 31 CO 0.06 -0.80 1.21 0.00 0.98 0.00 0.00 173.24 174.69 1lqc h ALA 32 N 4.94 -0.49 -1.14 5.32 0.00 -2.00 -2.54 119.26 123.34 1lqc h ALA 32 Ca -0.46 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 54.76 1lqc h ALA 32 Cb 1.22 0.85 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1lqc h ALA 32 CO 0.78 -0.59 0.78 1.57 0.00 0.00 0.00 179.25 181.79 1lqc h LYS 33 N -0.16 0.17 -0.03 0.00 5.09 -2.00 0.02 116.57 119.67 1lqc h LYS 33 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 60.65 60.75 1lqc h LYS 33 Cb 0.23 -0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.52 1lqc h LYS 33 CO -0.22 0.11 0.02 1.15 -2.09 0.00 0.00 179.45 178.42 1lqc h THR 34 N 0.18 1.08 -0.39 0.07 2.02 -1.86 -2.27 112.91 111.74 1lqc h THR 34 Ca 0.60 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.59 1lqc h THR 34 Cb 1.96 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 1lqc h THR 34 CO -0.16 0.06 0.19 0.03 0.37 0.00 0.00 175.52 176.00 1lqc h ARG 35 N -0.04 0.37 -0.72 6.66 3.08 -0.93 -2.40 114.38 120.40 1lqc h ARG 35 Ca 0.01 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1lqc h ARG 35 Cb 0.09 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1lqc h ARG 35 CO -0.00 0.24 0.47 0.93 -1.07 0.00 0.00 179.97 180.54 1lqc h GLU 36 N 0.38 0.70 -0.01 0.04 3.07 -0.84 0.21 114.58 118.13 1lqc h GLU 36 Ca 0.17 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.83 1lqc h GLU 36 Cb 0.09 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1lqc h GLU 36 CO -0.13 0.47 -0.59 -0.22 -1.40 0.00 0.00 179.01 177.14 1lqc h LYS 37 N 0.73 0.43 -0.36 2.33 3.64 -1.16 -2.03 116.57 120.15 1lqc h LYS 37 Ca 0.31 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1lqc h LYS 37 Cb 0.29 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1lqc h LYS 37 CO -0.10 1.10 0.12 0.28 -2.27 0.00 0.00 179.45 178.57 1lqc h VAL 38 N -0.07 1.21 -0.71 2.00 2.07 -0.66 -2.47 116.25 117.61 1lqc h VAL 38 Ca -0.07 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1lqc h VAL 38 Cb 1.30 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 1lqc h VAL 38 CO 0.12 0.23 0.38 -0.33 0.02 0.00 0.00 177.57 177.99 1lqc h GLU 39 N 0.43 0.64 0.08 1.57 5.08 -0.53 0.48 114.58 122.32 1lqc h GLU 39 Ca 0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1lqc h GLU 39 Cb 0.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1lqc h GLU 39 CO -0.00 0.42 -0.04 0.00 -1.00 0.00 0.00 179.01 178.39 1lqc h ALA 40 N 1.41 -0.10 -0.70 3.43 0.00 -1.15 -2.14 119.26 120.00 1lqc h ALA 40 Ca 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1lqc h ALA 40 Cb 0.31 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1lqc h ALA 40 CO -0.24 -0.45 0.43 0.00 0.00 0.00 0.00 179.25 178.99 1lqc h ALA 41 N 0.60 0.91 -0.55 0.00 0.00 -0.74 -2.82 119.26 116.67 1lqc h ALA 41 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1lqc h ALA 41 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1lqc h ALA 41 CO 0.02 0.20 0.30 0.52 0.00 0.00 0.00 179.25 180.28 1lqc h MET 42 N 0.84 0.56 -0.28 0.00 2.07 0.16 -1.06 114.93 117.23 1lqc h MET 42 Ca 0.28 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.86 1lqc h MET 42 Cb 0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 1lqc h MET 42 CO -0.11 0.37 0.09 0.00 1.07 0.00 0.00 176.91 178.33 1lqc h ALA 43 N 1.28 0.37 -0.51 6.32 0.00 -1.15 0.30 119.26 125.86 1lqc h ALA 43 Ca 0.23 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1lqc h ALA 43 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1lqc h ALA 43 CO -0.14 -0.00 0.04 0.93 0.00 0.00 0.00 179.25 180.08 1lqc h GLU 44 N 0.29 0.83 -0.65 0.00 4.39 -1.18 -1.87 114.58 116.39 1lqc h GLU 44 Ca 0.09 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1lqc h GLU 44 Cb 0.24 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1lqc h GLU 44 CO -0.00 0.81 0.00 1.28 -1.16 0.00 0.00 179.01 179.93 1lqc n LEU 45 N -4.23 4.56 -1.54 1.33 4.77 -0.47 -4.95 117.00 116.48 1lqc n LEU 45 Ca 0.03 -2.31 -0.12 0.00 -0.03 0.00 0.00 56.01 53.58 1lqc n LEU 45 Cb 0.28 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1lqc n LEU 45 CO 0.41 0.62 -0.12 -0.46 -1.33 0.00 0.00 177.39 176.51 1lqc n ASN 46 N 0.69 -3.27 -4.81 -1.43 2.04 -0.64 -4.77 115.26 103.07 1lqc n ASN 46 Ca 0.22 0.28 -0.33 0.00 -0.44 0.00 0.00 54.58 54.32 1lqc n ASN 46 Cb 0.92 -3.04 0.01 0.00 -2.53 0.00 0.00 39.78 35.14 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 -2.12 3.03 -0.58 -2.53 5.04 0.00 -4.87 117.35 115.32 1lqc s TYR 47 Ca 0.00 1.51 -0.05 0.00 -2.44 0.00 0.00 57.07 56.09 1lqc s TYR 47 Cb 0.00 -2.99 0.15 0.00 0.35 0.00 0.00 41.96 39.47 1lqc s TYR 47 CO 0.00 -1.05 0.41 -1.50 -1.34 0.00 0.00 175.55 172.07 1lqc s ILE 48 N -2.47 3.88 0.00 3.14 -1.16 -1.26 -4.72 121.20 118.60 1lqc s ILE 48 Ca 0.63 -2.59 0.00 0.00 -0.51 0.00 0.00 60.65 58.19 1lqc s ILE 48 Cb -0.15 -3.54 0.00 0.00 0.61 0.00 0.00 42.46 39.38 1lqc s ILE 48 CO 0.37 -0.84 0.00 -2.65 -2.81 0.00 0.00 174.94 169.00 1lqc n PRO 49 N 3.93 0.00 -2.68 3.50 -0.02 -1.26 -3.97 135.00 134.50 1lqc n PRO 49 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.10 1lqc n PRO 49 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.85 1lqc n PRO 49 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lqc s ASN 50 N -0.93 7.09 -0.96 2.55 6.03 -1.26 -4.82 114.94 122.64 1lqc s ASN 50 Ca 0.00 1.36 -0.24 0.00 -1.03 0.00 0.00 52.86 52.96 1lqc s ASN 50 Cb 0.00 -2.53 -0.02 0.00 -3.03 0.00 0.00 41.25 35.66 1lqc s ASN 50 CO 0.00 -0.64 1.83 0.00 -2.03 0.00 0.00 177.10 176.26 1lqc s ARG 51 N 3.07 2.82 -0.20 3.55 1.04 -1.25 -3.08 118.95 124.89 1lqc s ARG 51 Ca 0.44 -0.58 -0.01 0.00 -1.04 0.00 0.00 55.73 54.54 1lqc s ARG 51 Cb -0.15 -5.15 0.13 0.00 -2.04 0.00 0.00 34.95 27.73 1lqc s ARG 51 CO 0.07 -3.12 2.04 1.33 -0.04 0.00 0.00 175.30 175.58 1lqc n VAL 52 N 7.61 2.50 -1.78 4.99 0.24 -1.26 -2.28 118.33 128.34 1lqc n VAL 52 Ca 0.39 -1.24 -0.04 0.00 -2.04 0.00 0.00 64.34 61.42 1lqc n VAL 52 Cb 0.48 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 31.40 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 0.81 1.71 -0.45 2.33 0.00 -1.26 -4.84 120.51 118.81 1lqc n ALA 53 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1lqc n ALA 53 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1lqc n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1lqc n GLN 54 N 0.00 0.00 0.00 0.00 -0.06 -0.97 -4.83 117.38 111.52 1lqc n GLN 54 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1lqc n GLN 54 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 1lqc n GLN 54 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1lqc n GLN 55 N 0.00 0.00 0.00 3.69 7.27 -1.26 -4.91 117.38 122.17 1lqc n GLN 55 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1lqc n GLN 55 Cb 0.00 -0.17 0.05 0.00 2.41 0.00 0.00 30.24 32.53 1lqc n GLN 55 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41