#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 -0.36 0.03 0.03 4.81 0.60 -4.61 118.16 118.67 1lqc n LYS 2 Ca 0.00 -0.07 0.01 0.00 -0.87 0.00 0.00 58.31 57.38 1lqc n LYS 2 Cb 0.00 0.02 0.07 0.00 0.02 0.00 0.00 35.03 35.14 1lqc n LYS 2 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1lqc n PRO 3 N -0.85 0.02 -3.61 1.64 -0.02 -1.26 -4.58 135.00 126.34 1lqc n PRO 3 Ca -0.02 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 1lqc n PRO 3 Cb 0.06 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 1lqc n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1lqc s VAL 4 N -2.80 0.03 -0.24 -1.45 0.11 -1.26 -5.02 120.40 109.77 1lqc s VAL 4 Ca -0.00 -0.27 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 1lqc s VAL 4 Cb 0.01 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1lqc s VAL 4 CO 0.02 -0.15 0.60 0.42 -3.33 0.00 0.00 175.10 172.66 1lqc s THR 5 N -1.92 5.02 0.50 5.04 -4.23 -1.26 -4.95 115.64 113.84 1lqc s THR 5 Ca -0.08 1.07 0.09 0.00 -1.18 0.00 0.00 61.69 61.59 1lqc s THR 5 Cb -0.01 -3.91 0.13 0.00 1.34 0.00 0.00 72.50 70.05 1lqc s THR 5 CO 0.02 0.06 0.88 0.18 -0.54 0.00 0.00 174.62 175.22 1lqc n LEU 6 N 5.52 0.00 -0.20 4.79 4.77 -1.26 -0.66 117.00 129.96 1lqc n LEU 6 Ca -0.02 0.48 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 1lqc n LEU 6 Cb 0.49 -0.09 0.38 0.00 -2.33 0.00 0.00 43.42 41.88 1lqc n LEU 6 CO 0.42 -0.48 1.21 1.88 -1.33 0.00 0.00 177.39 179.10 1lqc h TYR 7 N 0.00 0.73 -0.01 -1.77 0.05 -1.92 -0.18 116.97 113.88 1lqc h TYR 7 Ca 0.16 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 1lqc h TYR 7 Cb 1.87 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 39.38 1lqc h TYR 7 CO 0.00 0.35 0.01 0.22 -1.05 0.00 0.00 178.16 177.68 1lqc h ASP 8 N 0.69 0.01 -0.85 3.88 3.58 -1.28 0.12 116.42 122.57 1lqc h ASP 8 Ca 0.35 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.83 1lqc h ASP 8 Cb 0.45 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1lqc h ASP 8 CO -0.13 0.05 0.52 0.58 -2.88 0.00 0.00 179.24 177.38 1lqc h VAL 9 N -0.02 1.03 0.36 2.25 2.07 -1.51 -0.34 116.25 120.07 1lqc h VAL 9 Ca 0.00 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1lqc h VAL 9 Cb 0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1lqc h VAL 9 CO -0.00 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.59 1lqc h ALA 10 N 1.41 -0.48 -0.45 1.67 0.00 -0.52 -0.12 119.26 120.76 1lqc h ALA 10 Ca 0.37 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 1lqc h ALA 10 Cb 0.19 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1lqc h ALA 10 CO -0.18 -0.74 -0.18 0.93 0.00 0.00 0.00 179.25 179.07 1lqc h GLU 11 N -0.53 0.89 -0.34 0.00 3.07 -0.64 0.19 114.58 117.21 1lqc h GLU 11 Ca -0.05 -0.35 -0.08 0.00 -0.50 0.00 0.00 59.36 58.38 1lqc h GLU 11 Cb 0.40 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1lqc h GLU 11 CO 0.08 1.00 -0.13 -0.92 -1.40 0.00 0.00 179.01 177.64 1lqc h TYR 12 N 0.78 0.66 0.00 4.33 3.20 -0.81 -2.05 116.97 123.08 1lqc h TYR 12 Ca 0.11 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lqc h TYR 12 Cb 0.72 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1lqc h TYR 12 CO 0.04 0.71 -0.40 0.00 -1.64 0.00 0.00 178.16 176.88 1lqc n ALA 13 N -2.48 3.19 -1.84 1.82 0.00 -0.08 -4.96 120.51 116.16 1lqc n ALA 13 Ca 0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 1lqc n ALA 13 Cb 0.35 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 1.48 0.45 3.25 0.00 0.00 0.43 -4.98 105.19 105.81 1lqc n GLY 14 Ca 0.06 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.48 2.13 -0.25 1.61 0.11 0.11 -4.96 120.40 116.68 1lqc s VAL 15 Ca 0.00 -1.01 -0.41 0.00 -2.93 0.00 0.00 61.98 57.63 1lqc s VAL 15 Cb 0.00 -1.80 -0.19 0.00 -1.53 0.00 0.00 36.38 32.86 1lqc s VAL 15 CO 0.00 0.56 1.27 -1.54 -3.33 0.00 0.00 175.10 172.06 1lqc n SER 16 N 3.30 0.60 -0.36 3.54 3.41 -1.26 -4.37 113.62 118.48 1lqc n SER 16 Ca -0.18 1.10 0.26 0.00 -0.26 0.00 0.00 58.87 59.79 1lqc n SER 16 Cb 0.53 -0.84 0.53 0.00 -0.26 0.00 0.00 64.21 64.16 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 3.81 0.72 -1.01 7.33 3.20 -1.97 -2.12 116.97 126.93 1lqc h TYR 17 Ca -0.44 0.03 0.17 0.00 3.14 0.00 0.00 58.73 61.62 1lqc h TYR 17 Cb 1.31 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 39.28 1lqc h TYR 17 CO 0.57 -0.07 0.62 0.37 -1.64 0.00 0.00 178.16 178.02 1lqc h GLN 18 N 0.31 0.82 -0.32 1.82 4.15 -2.02 -1.57 115.11 118.31 1lqc h GLN 18 Ca 0.69 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 60.13 1lqc h GLN 18 Cb 1.81 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 29.25 1lqc h GLN 18 CO -0.42 0.54 -0.09 1.79 -1.93 0.00 0.00 178.83 178.72 1lqc h THR 19 N 0.84 0.66 0.44 2.39 1.35 -1.74 -2.31 112.91 114.54 1lqc h THR 19 Ca 0.55 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.39 1lqc h THR 19 Cb 0.77 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1lqc h THR 19 CO -0.35 0.00 -0.21 0.58 -0.25 0.00 0.00 175.52 175.29 1lqc h VAL 20 N -0.01 0.53 -0.28 6.82 2.07 -1.47 0.14 116.25 124.05 1lqc h VAL 20 Ca 0.15 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1lqc h VAL 20 Cb 0.25 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1lqc h VAL 20 CO -0.34 0.06 0.03 0.28 0.02 0.00 0.00 177.57 177.62 1lqc h SER 21 N -0.80 0.37 -0.55 0.57 0.02 -1.45 0.48 113.55 112.19 1lqc h SER 21 Ca -0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1lqc h SER 21 Cb 0.55 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1lqc h SER 21 CO 0.10 0.41 0.25 0.03 -1.14 0.00 0.00 176.83 176.48 1lqc h ARG 22 N 0.40 0.81 -0.19 3.45 3.08 -0.92 -2.97 114.38 118.03 1lqc h ARG 22 Ca 0.09 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1lqc h ARG 22 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1lqc h ARG 22 CO 0.00 0.67 0.04 0.28 -1.07 0.00 0.00 179.97 179.90 1lqc h VAL 23 N 0.75 0.92 -0.62 2.04 2.07 0.14 0.47 116.25 122.02 1lqc h VAL 23 Ca 0.19 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1lqc h VAL 23 Cb 0.14 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1lqc h VAL 23 CO -0.02 0.02 0.33 0.58 0.02 0.00 0.00 177.57 178.50 1lqc h VAL 24 N 0.12 0.95 -0.60 2.57 2.07 -1.04 0.29 116.25 120.60 1lqc h VAL 24 Ca 0.08 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1lqc h VAL 24 Cb 0.07 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1lqc h VAL 24 CO -0.11 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.19 1lqc n ASN 25 N -4.83 3.56 -1.66 0.57 4.13 -1.13 -4.52 115.26 111.38 1lqc n ASN 25 Ca 0.07 -2.11 -0.21 0.00 1.68 0.00 0.00 54.58 54.02 1lqc n ASN 25 Cb 0.17 -0.45 -0.08 0.00 -1.54 0.00 0.00 39.78 37.88 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 1.21 -1.47 -1.83 3.52 7.27 0.09 -3.97 117.38 122.20 1lqc n GLN 26 Ca 0.21 1.22 -0.06 0.00 0.07 0.00 0.00 57.00 58.44 1lqc n GLN 26 Cb 0.60 -5.63 -0.01 0.00 2.41 0.00 0.00 30.24 27.61 1lqc n GLN 26 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1lqc n ALA 27 N 1.14 -0.22 0.00 1.69 0.00 0.09 -1.72 120.51 121.48 1lqc n ALA 27 Ca -0.21 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1lqc n ALA 27 Cb 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1lqc n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1lqc n SER 28 N 0.08 0.00 -3.40 0.00 2.88 -1.25 -4.46 113.62 107.47 1lqc n SER 28 Ca 0.02 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.34 1lqc n SER 28 Cb 0.09 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.45 1lqc n SER 28 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1lqc s HIS 29 N 0.00 0.11 0.01 0.66 0.09 -0.95 -5.15 115.29 110.06 1lqc s HIS 29 Ca 0.00 -1.16 -0.02 0.00 -0.00 0.00 0.00 55.06 53.88 1lqc s HIS 29 Cb 0.00 -0.61 -0.04 0.00 -0.00 0.00 0.00 32.58 31.93 1lqc s HIS 29 CO 0.00 -0.91 0.17 0.54 -0.00 0.00 0.00 174.74 174.54 1lqc s VAL 30 N 1.26 5.32 0.35 -0.90 0.11 -0.70 -5.11 120.40 120.73 1lqc s VAL 30 Ca 0.18 -0.24 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 1lqc s VAL 30 Cb -0.18 -3.50 -0.11 0.00 -1.53 0.00 0.00 36.38 31.06 1lqc s VAL 30 CO -0.01 0.29 1.50 -0.94 -3.33 0.00 0.00 175.10 172.61 1lqc s SER 31 N -2.02 6.39 0.06 3.54 1.04 -1.26 -4.98 113.70 116.46 1lqc s SER 31 Ca 0.28 2.99 -0.31 0.00 0.48 0.00 0.00 55.95 59.40 1lqc s SER 31 Cb -0.13 -2.66 -0.18 0.00 0.10 0.00 0.00 66.02 63.16 1lqc s SER 31 CO 0.20 -0.86 1.58 0.00 0.98 0.00 0.00 173.24 175.14 1lqc h ALA 32 N 3.59 -0.74 -1.04 5.32 0.00 -2.01 -2.80 119.26 121.59 1lqc h ALA 32 Ca -0.50 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 54.51 1lqc h ALA 32 Cb 1.23 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.22 1lqc h ALA 32 CO 0.69 -0.89 0.68 0.87 0.00 0.00 0.00 179.25 180.59 1lqc h LYS 33 N -0.79 0.36 -0.13 0.00 6.56 -2.00 0.40 116.57 120.97 1lqc h LYS 33 Ca -0.08 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 1lqc h LYS 33 Cb 0.59 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 1lqc h LYS 33 CO 0.12 0.24 0.08 1.15 -2.06 0.00 0.00 179.45 178.98 1lqc h THR 34 N 0.37 1.06 -0.90 -0.16 2.02 -1.91 -2.21 112.91 111.19 1lqc h THR 34 Ca 0.59 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.60 1lqc h THR 34 Cb 1.54 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 1lqc h THR 34 CO -0.28 0.06 0.50 0.03 0.37 0.00 0.00 175.52 176.20 1lqc h ARG 35 N 0.14 1.25 -0.57 6.66 3.08 -0.93 -2.69 114.38 121.32 1lqc h ARG 35 Ca 0.05 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.01 1lqc h ARG 35 Cb 0.02 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.79 1lqc h ARG 35 CO -0.01 0.91 0.38 0.93 -1.07 0.00 0.00 179.97 181.11 1lqc h GLU 36 N 1.26 0.52 0.03 0.04 3.07 -0.94 0.17 114.58 118.73 1lqc h GLU 36 Ca 0.32 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1lqc h GLU 36 Cb 0.02 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1lqc h GLU 36 CO -0.05 0.35 -0.29 -0.22 -1.40 0.00 0.00 179.01 177.39 1lqc h LYS 37 N 0.54 0.15 -0.47 2.33 3.64 -1.35 -2.89 116.57 118.52 1lqc h LYS 37 Ca 0.24 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1lqc h LYS 37 Cb 0.28 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1lqc h LYS 37 CO -0.07 1.00 0.12 0.28 -2.27 0.00 0.00 179.45 178.51 1lqc h VAL 38 N -0.62 1.20 -0.40 2.00 2.07 -0.78 -2.73 116.25 116.99 1lqc h VAL 38 Ca -0.04 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1lqc h VAL 38 Cb 1.13 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1lqc h VAL 38 CO 0.06 0.27 0.22 -0.33 0.02 0.00 0.00 177.57 177.81 1lqc h GLU 39 N 0.69 0.56 -0.17 1.57 5.08 -0.67 0.25 114.58 121.89 1lqc h GLU 39 Ca 0.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1lqc h GLU 39 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1lqc h GLU 39 CO -0.00 0.45 0.10 0.00 -1.00 0.00 0.00 179.01 178.56 1lqc h ALA 40 N 1.08 0.22 -0.64 3.43 0.00 -1.28 -1.33 119.26 120.74 1lqc h ALA 40 Ca 0.14 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1lqc h ALA 40 Cb 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1lqc h ALA 40 CO -0.02 -0.27 0.31 0.00 0.00 0.00 0.00 179.25 179.26 1lqc h ALA 41 N 1.03 0.85 0.02 0.00 0.00 -1.30 -1.51 119.26 118.35 1lqc h ALA 41 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1lqc h ALA 41 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1lqc h ALA 41 CO -0.01 -0.07 -0.03 0.52 0.00 0.00 0.00 179.25 179.66 1lqc h MET 42 N 0.56 -0.07 -0.56 0.00 2.07 -0.01 -0.58 114.93 116.34 1lqc h MET 42 Ca 0.30 0.00 -0.10 0.00 -2.07 0.00 0.00 59.70 57.84 1lqc h MET 42 Cb 0.28 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.01 1lqc h MET 42 CO -0.24 -0.05 -0.04 0.00 1.07 0.00 0.00 176.91 177.66 1lqc h ALA 43 N 0.91 0.75 -0.40 6.32 0.00 -0.78 -1.57 119.26 124.49 1lqc h ALA 43 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1lqc h ALA 43 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1lqc h ALA 43 CO -0.02 0.61 -0.13 0.93 0.00 0.00 0.00 179.25 180.64 1lqc h GLU 44 N 0.89 0.73 -0.33 0.00 5.08 -0.75 -1.95 114.58 118.26 1lqc h GLU 44 Ca 0.15 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1lqc h GLU 44 Cb 0.59 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1lqc h GLU 44 CO 0.04 0.83 0.00 1.28 -1.00 0.00 0.00 179.01 180.16 1lqc n LEU 45 N -4.16 2.25 0.00 1.33 4.77 -0.28 -4.96 117.00 115.95 1lqc n LEU 45 Ca 0.01 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1lqc n LEU 45 Cb 0.37 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1lqc n LEU 45 CO 0.43 0.52 0.00 -0.46 -1.33 0.00 0.00 177.39 176.55 1lqc n ASN 46 N 0.71 0.00 0.00 -1.43 6.94 -0.61 -4.89 115.26 115.98 1lqc n ASN 46 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.72 1lqc n ASN 46 Cb 0.39 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 1lqc n ASN 46 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lqc n TYR 47 N 0.00 0.00 0.00 -2.53 9.36 -1.23 -4.57 117.16 118.20 1lqc n TYR 47 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1lqc n TYR 47 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1lqc n TYR 47 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 1lqc n ILE 48 N 0.00 0.00 0.00 2.97 0.00 -1.26 -4.37 119.36 116.70 1lqc n ILE 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1lqc n ILE 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.64 1lqc n ILE 48 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1lqc n PRO 49 N 0.00 0.00 -0.79 9.51 -0.02 -1.26 -2.99 135.00 139.45 1lqc n PRO 49 Ca 0.00 0.10 -0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1lqc n PRO 49 Cb 0.00 -0.16 0.10 0.00 -0.02 0.00 0.00 33.50 33.42 1lqc n PRO 49 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1lqc n ASN 50 N -1.94 3.96 -2.35 2.55 6.94 -1.26 -4.80 115.26 118.36 1lqc n ASN 50 Ca 0.00 -3.02 -0.01 0.00 -0.02 0.00 0.00 54.58 51.53 1lqc n ASN 50 Cb 0.00 -0.76 -0.01 0.00 -2.36 0.00 0.00 39.78 36.66 1lqc n ASN 50 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1lqc n ARG 51 N -0.43 -3.22 -3.76 -3.83 0.00 -1.16 -4.88 116.66 99.38 1lqc n ARG 51 Ca 0.37 2.38 -0.37 0.00 -0.00 0.00 0.00 57.85 60.23 1lqc n ARG 51 Cb 1.13 -3.16 -0.11 0.00 0.00 0.00 0.00 32.46 30.31 1lqc n ARG 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1lqc s VAL 52 N -0.38 3.37 -0.16 5.15 -7.23 -1.26 -5.00 120.40 114.90 1lqc s VAL 52 Ca -0.04 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1lqc s VAL 52 Cb 0.00 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.61 1lqc s VAL 52 CO 0.11 -0.67 0.56 0.00 -0.31 0.00 0.00 175.10 174.79 1lqc n ALA 53 N 4.63 0.06 -0.01 1.32 0.00 -1.26 -0.29 120.51 124.96 1lqc n ALA 53 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1lqc n ALA 53 Cb 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 1.88 0.00 -3.83 0.00 7.27 -1.26 -4.64 117.38 116.80 1lqc n GLN 54 Ca 0.14 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.85 1lqc n GLN 54 Cb -0.00 -0.25 -0.13 0.00 2.41 0.00 0.00 30.24 32.27 1lqc n GLN 54 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1lqc s GLN 55 N -0.99 2.42 0.00 3.69 1.03 -1.26 -5.06 119.66 119.48 1lqc s GLN 55 Ca 0.00 -1.35 0.02 0.00 0.04 0.00 0.00 55.36 54.08 1lqc s GLN 55 Cb 0.00 -3.36 0.15 0.00 0.03 0.00 0.00 33.01 29.83 1lqc s GLN 55 CO 0.00 -0.73 0.63 1.28 -2.54 0.00 0.00 175.29 173.94