#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6p s THR 2 N 0.00 0.06 -0.10 0.00 2.01 -1.26 -5.18 115.64 111.17 1u6p s THR 2 Ca 0.00 -0.46 -0.24 0.00 0.31 0.00 0.00 61.69 61.30 1u6p s THR 2 Cb 0.00 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 71.44 1u6p s THR 2 CO 0.00 -0.25 0.57 0.54 -0.69 0.00 0.00 174.62 174.79 1u6p s VAL 3 N -3.72 0.01 -0.10 3.82 0.11 -1.26 -5.05 120.40 114.21 1u6p s VAL 3 Ca 0.02 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1u6p s VAL 3 Cb 0.01 -0.86 -0.11 0.00 -1.53 0.00 0.00 36.38 33.90 1u6p s VAL 3 CO -0.12 -0.06 -0.01 0.55 -3.33 0.00 0.00 175.10 172.13 1u6p n VAL 4 N 1.61 0.68 0.14 2.04 3.14 -1.26 -5.01 118.33 119.67 1u6p n VAL 4 Ca -0.18 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 1u6p n VAL 4 Cb 0.56 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.54 1u6p n VAL 4 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1u6p n SER 5 N -2.52 -2.50 0.00 6.55 2.88 -1.26 -5.17 113.62 111.60 1u6p n SER 5 Ca -0.18 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1u6p n SER 5 Cb 0.79 2.51 0.00 0.00 -0.75 0.00 0.00 64.21 66.76 1u6p n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1u6p n GLY 6 N -1.29 0.68 3.62 0.46 0.00 -1.26 -5.15 105.19 102.24 1u6p n GLY 6 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1u6p n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u6p s GLN 7 N -2.00 0.40 0.31 1.61 -0.21 -1.26 -5.19 119.66 113.32 1u6p s GLN 7 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.20 1u6p s GLN 7 Cb 0.00 0.14 -0.05 0.00 1.00 0.00 0.00 33.01 34.10 1u6p s GLN 7 CO 0.00 -0.18 0.10 0.15 -2.12 0.00 0.00 175.29 173.24 1u6p s LYS 8 N -2.44 1.59 -0.28 2.91 1.02 -1.26 -5.17 119.74 116.11 1u6p s LYS 8 Ca 0.13 -1.89 -0.32 0.00 0.02 0.00 0.00 55.97 53.91 1u6p s LYS 8 Cb 0.04 -0.45 0.18 0.00 -0.52 0.00 0.00 37.83 37.08 1u6p s LYS 8 CO -0.04 -0.32 1.36 1.14 -0.92 0.00 0.00 175.35 176.57 1u6p s GLN 9 N -3.91 0.06 -0.23 1.68 -2.07 -1.26 -5.19 119.66 108.75 1u6p s GLN 9 Ca 0.35 0.00 -0.32 0.00 -1.82 0.00 0.00 55.36 53.57 1u6p s GLN 9 Cb 0.07 0.03 0.16 0.00 -1.09 0.00 0.00 33.01 32.18 1u6p s GLN 9 CO 0.15 -0.02 1.24 -0.51 -1.32 0.00 0.00 175.29 174.83 1u6p s ASP 10 N -1.36 -0.13 0.00 12.60 1.11 -1.26 -5.19 116.67 122.44 1u6p s ASP 10 Ca 0.10 0.09 0.00 0.00 0.18 0.00 0.00 52.55 52.92 1u6p s ASP 10 Cb -0.01 0.12 0.00 0.00 1.07 0.00 0.00 42.92 44.10 1u6p s ASP 10 CO -0.06 -0.16 0.00 -1.14 1.18 0.00 0.00 175.17 174.99 1u6p n ARG 11 N 0.31 0.00 -3.77 8.23 0.63 -1.26 -5.19 116.66 115.61 1u6p n ARG 11 Ca -0.01 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.82 1u6p n ARG 11 Cb 0.58 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.44 1u6p n ARG 11 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1u6p s GLN 12 N -2.00 1.05 0.00 -0.14 -0.21 -1.26 -5.17 119.66 111.93 1u6p s GLN 12 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.36 54.49 1u6p s GLN 12 Cb 0.00 0.42 0.00 0.00 1.00 0.00 0.00 33.01 34.43 1u6p s GLN 12 CO 0.00 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.19 1u6p n GLY 13 N -0.19 -1.49 0.00 3.09 0.00 -1.26 -5.19 105.19 100.16 1u6p n GLY 13 Ca -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1u6p n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6p n GLY 14 N -0.17 4.08 0.00 -0.02 0.00 -1.26 -5.18 105.19 102.63 1u6p n GLY 14 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1u6p n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u6p n GLU 15 N 0.00 0.00 -0.99 1.61 2.13 -1.26 -5.14 120.64 116.99 1u6p n GLU 15 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1u6p n GLU 15 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1u6p n GLU 15 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1u6p n ARG 16 N -0.47 -1.99 -0.04 5.31 3.00 -1.26 -3.32 116.66 117.89 1u6p n ARG 16 Ca 0.00 1.31 -0.01 0.00 -0.00 0.00 0.00 57.85 59.16 1u6p n ARG 16 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 32.46 30.03 1u6p n ARG 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1u6p h ARG 17 N 0.00 0.00 -1.00 -0.14 9.65 -2.02 -3.38 114.38 117.50 1u6p h ARG 17 Ca 0.02 0.00 -0.67 0.00 -1.10 0.00 0.00 59.98 58.23 1u6p h ARG 17 Cb 0.90 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.19 1u6p h ARG 17 CO 0.01 0.00 0.85 0.54 2.80 0.00 0.00 179.97 184.17 1u6p n ARG 18 N -3.93 2.69 -3.23 0.20 1.74 -1.26 -4.83 116.66 108.03 1u6p n ARG 18 Ca -0.01 -3.29 -0.22 0.00 -0.77 0.00 0.00 57.85 53.55 1u6p n ARG 18 Cb 0.04 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 1u6p n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u6p n SER 19 N -0.92 -4.25 -3.49 0.55 2.88 -1.21 0.08 113.62 107.25 1u6p n SER 19 Ca 0.63 -0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 1u6p n SER 19 Cb 0.69 -3.50 0.08 0.00 -0.75 0.00 0.00 64.21 60.73 1u6p n SER 19 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1u6p n GLN 20 N -3.74 -7.72 -1.45 -1.46 7.27 -1.26 -4.71 117.38 104.31 1u6p n GLN 20 Ca -0.04 0.80 -0.35 0.00 0.07 0.00 0.00 57.00 57.48 1u6p n GLN 20 Cb 0.56 -5.78 -0.17 0.00 2.41 0.00 0.00 30.24 27.27 1u6p n GLN 20 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1u6p n LEU 21 N -4.86 -0.17 -4.79 1.69 0.00 0.11 -4.82 117.00 104.17 1u6p n LEU 21 Ca 0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1u6p n LEU 21 Cb 0.56 -0.79 -0.01 0.00 0.00 0.00 0.00 43.42 43.17 1u6p n LEU 21 CO 0.63 -0.88 0.73 -0.62 0.00 0.00 0.00 177.39 177.25 1u6p s ASP 22 N 6.45 6.02 0.00 1.96 2.15 -1.26 -4.89 116.67 127.10 1u6p s ASP 22 Ca 1.31 1.95 0.16 0.00 0.43 0.00 0.00 52.55 56.40 1u6p s ASP 22 Cb -1.12 -2.56 0.93 0.00 -0.30 0.00 0.00 42.92 39.87 1u6p s ASP 22 CO 0.49 -1.00 1.34 0.54 -0.17 0.00 0.00 175.17 176.37 1u6p n ARG 23 N -1.36 0.51 -0.64 4.34 5.12 -1.26 -1.52 116.66 121.85 1u6p n ARG 23 Ca 0.10 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.05 1u6p n ARG 23 Cb 0.52 -1.48 0.04 0.00 -1.16 0.00 0.00 32.46 30.38 1u6p n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1u6p n ASP 24 N -0.98 0.70 -4.29 0.55 2.03 -1.26 -5.06 116.55 108.24 1u6p n ASP 24 Ca 0.12 -2.30 -0.30 0.00 0.52 0.00 0.00 54.79 52.83 1u6p n ASP 24 Cb 0.05 -0.28 -0.16 0.00 -0.72 0.00 0.00 41.12 40.02 1u6p n ASP 24 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1u6p s GLN 25 N -0.68 1.92 0.13 -0.67 1.11 -0.58 -1.19 119.66 119.70 1u6p s GLN 25 Ca 0.15 -0.92 -0.30 0.00 0.01 0.00 0.00 55.36 54.29 1u6p s GLN 25 Cb 0.15 -1.91 -0.07 0.00 -1.01 0.00 0.00 33.01 30.17 1u6p s GLN 25 CO -0.03 0.52 1.22 0.00 0.01 0.00 0.00 175.29 177.00 1u6p n ALA 27 N 3.26 4.52 0.04 0.00 0.00 -1.26 -1.96 120.51 125.10 1u6p n ALA 27 Ca 0.07 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1u6p n ALA 27 Cb 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1u6p n ALA 27 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1u6p n TYR 28 N -0.41 -0.47 -0.02 0.00 4.19 -1.26 -4.87 117.16 114.33 1u6p n TYR 28 Ca 0.39 0.08 0.06 0.00 3.31 0.00 0.00 57.90 61.74 1u6p n TYR 28 Cb 1.29 0.20 -0.13 0.00 0.49 0.00 0.00 39.34 41.18 1u6p n TYR 28 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1u6p n LYS 30 N -2.18 0.00 -3.08 0.00 4.76 -0.83 -5.03 118.16 111.80 1u6p n LYS 30 Ca -0.07 0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 1u6p n LYS 30 Cb 0.55 -2.89 -0.06 0.00 -1.84 0.00 0.00 35.03 30.79 1u6p n LYS 30 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1u6p s GLU 31 N -2.29 4.15 -0.25 1.97 2.02 -1.25 -4.67 118.70 118.38 1u6p s GLU 31 Ca 0.00 0.63 -0.29 0.00 0.02 0.00 0.00 54.97 55.33 1u6p s GLU 31 Cb 0.00 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1u6p s GLU 31 CO 0.00 -0.39 1.15 -1.59 0.02 0.00 0.00 175.26 174.45 1u6p s LYS 32 N 2.41 4.14 0.00 1.61 -2.85 -1.26 -1.18 119.74 122.61 1u6p s LYS 32 Ca 0.28 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.59 1u6p s LYS 32 Cb -0.16 -3.74 0.00 0.00 -2.06 0.00 0.00 37.83 31.87 1u6p s LYS 32 CO 0.09 -0.81 0.00 0.41 0.10 0.00 0.00 175.35 175.14 1u6p n GLY 33 N 3.72 2.20 3.93 0.59 0.00 -0.33 -4.98 105.19 110.31 1u6p n GLY 33 Ca 0.13 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1u6p n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1u6p s HIS 34 N 0.00 2.91 0.23 1.61 -3.43 -1.25 -4.92 115.29 110.43 1u6p s HIS 34 Ca 0.00 -0.33 0.05 0.00 -0.80 0.00 0.00 55.06 53.98 1u6p s HIS 34 Cb 0.00 -2.04 -0.03 0.00 -1.43 0.00 0.00 32.58 29.08 1u6p s HIS 34 CO 0.00 -0.05 0.29 -1.58 -2.00 0.00 0.00 174.74 171.40 1u6p s TRP 35 N -2.31 3.32 0.44 0.38 0.52 -1.26 -2.83 118.94 117.20 1u6p s TRP 35 Ca 0.46 -0.04 0.11 0.00 0.02 0.00 0.00 56.10 56.66 1u6p s TRP 35 Cb -0.07 -1.52 1.00 0.00 -1.15 0.00 0.00 33.47 31.73 1u6p s TRP 35 CO 0.29 0.48 2.06 0.00 0.02 0.00 0.00 176.95 179.80 1u6p h ALA 36 N 1.45 1.87 0.00 0.98 0.00 -1.91 0.52 119.26 122.17 1u6p h ALA 36 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1u6p h ALA 36 Cb 1.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u6p h ALA 36 CO 0.62 0.08 0.00 1.63 0.00 0.00 0.00 179.25 181.58 1u6p n LYS 37 N -4.48 0.02 -1.47 0.00 4.01 -1.26 -1.42 118.16 113.55 1u6p n LYS 37 Ca 0.04 0.34 0.03 0.00 -0.51 0.00 0.00 58.31 58.21 1u6p n LYS 37 Cb 0.16 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.24 1u6p n LYS 37 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1u6p n ASP 38 N -1.46 1.28 -4.73 4.39 2.03 0.17 -5.07 116.55 113.15 1u6p n ASP 38 Ca 0.02 -2.39 -0.41 0.00 0.52 0.00 0.00 54.79 52.53 1u6p n ASP 38 Cb 0.09 -0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 40.10 1u6p n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u6p n PRO 40 N 2.79 0.75 -0.01 0.00 -0.04 -1.26 -2.02 135.00 135.22 1u6p n PRO 40 Ca 0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1u6p n PRO 40 Cb 0.45 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 1u6p n PRO 40 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u6p n LYS 41 N -0.85 0.48 -2.78 0.54 5.02 -1.26 -4.94 118.16 114.37 1u6p n LYS 41 Ca 0.13 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1u6p n LYS 41 Cb 0.06 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 1u6p n LYS 41 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1u6p s LYS 42 N -3.05 4.43 -1.14 1.97 -2.85 -0.86 -4.94 119.74 113.30 1u6p s LYS 42 Ca -0.06 1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 55.98 1u6p s LYS 42 Cb 0.10 -3.52 -0.05 0.00 -2.06 0.00 0.00 37.83 32.30 1u6p s LYS 42 CO 0.64 -0.21 2.00 -0.35 0.10 0.00 0.00 175.35 177.53 1u6p n PRO 43 N 4.66 2.22 -1.54 1.78 -0.04 -1.26 -4.86 135.00 135.95 1u6p n PRO 43 Ca 0.06 -2.40 -0.13 0.00 -0.04 0.00 0.00 63.50 60.99 1u6p n PRO 43 Cb 0.50 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.62 1u6p n PRO 43 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u6p n ARG 44 N 7.08 0.34 -1.09 0.54 5.12 -1.26 -4.67 116.66 122.72 1u6p n ARG 44 Ca 0.50 -1.01 0.12 0.00 -1.93 0.00 0.00 57.85 55.53 1u6p n ARG 44 Cb 0.42 -3.44 -0.04 0.00 -1.16 0.00 0.00 32.46 28.24 1u6p n ARG 44 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1u6p n GLY 45 N 6.40 -1.62 3.74 -0.13 0.00 -1.26 -4.92 105.19 107.40 1u6p n GLY 45 Ca 0.45 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1u6p n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 46 N -2.95 4.58 -0.29 1.61 0.04 -1.26 -5.15 135.00 131.57 1u6p s PRO 46 Ca 0.00 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1u6p s PRO 46 Cb 0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.36 1u6p s PRO 46 CO 0.00 0.05 0.03 0.50 0.04 0.00 0.00 177.00 177.62 1u6p s ARG 47 N -0.40 1.27 0.53 4.56 6.06 -1.26 -5.12 118.95 124.59 1u6p s ARG 47 Ca 0.50 -1.27 0.09 0.00 -2.50 0.00 0.00 55.73 52.54 1u6p s ARG 47 Cb -0.30 -2.57 0.09 0.00 0.06 0.00 0.00 34.95 32.22 1u6p s ARG 47 CO 0.35 -0.83 0.72 0.41 -2.50 0.00 0.00 175.30 173.46 1u6p n GLY 48 N 4.61 1.98 3.71 8.12 0.00 -1.26 -5.07 105.19 117.29 1u6p n GLY 48 Ca -0.04 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 1u6p n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6p s PRO 49 N -4.40 4.45 -0.33 1.61 0.04 -1.26 -4.98 135.00 130.13 1u6p s PRO 49 Ca 0.55 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 1u6p s PRO 49 Cb -0.04 -3.37 0.19 0.00 0.04 0.00 0.00 34.50 31.32 1u6p s PRO 49 CO 0.35 -0.23 0.88 0.50 0.04 0.00 0.00 177.00 178.54 1u6p s ARG 50 N 1.08 0.37 0.47 4.56 3.00 -1.26 -5.16 118.95 122.00 1u6p s ARG 50 Ca 0.58 0.08 -0.21 0.00 -1.00 0.00 0.00 55.73 55.17 1u6p s ARG 50 Cb -0.28 0.09 -0.09 0.00 0.00 0.00 0.00 34.95 34.68 1u6p s ARG 50 CO 0.29 -0.60 1.04 -1.25 0.00 0.00 0.00 175.30 174.78 1u6p s PRO 51 N 2.41 3.88 0.00 5.12 0.04 -1.26 -5.00 135.00 140.19 1u6p s PRO 51 Ca 0.18 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1u6p s PRO 51 Cb -0.02 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1u6p s PRO 51 CO -0.18 -0.37 0.00 1.04 0.04 0.00 0.00 177.00 177.53 1u6p n GLN 52 N -0.78 0.00 -3.31 4.56 6.02 -1.26 -5.15 117.38 117.46 1u6p n GLN 52 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.10 1u6p n GLN 52 Cb 0.52 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.75 1u6p n GLN 52 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1u6p s THR 53 N 0.00 -0.51 -0.40 5.09 -1.32 -1.26 -5.10 115.64 112.14 1u6p s THR 53 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1u6p s THR 53 Cb 0.00 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.21 1u6p s THR 53 CO 0.00 0.00 0.99 -0.24 -2.21 0.00 0.00 174.62 173.16 1u6p n SER 54 N 5.16 -2.15 -2.67 8.08 2.88 -1.26 -5.05 113.62 118.60 1u6p n SER 54 Ca -0.08 -1.84 -0.05 0.00 -1.33 0.00 0.00 58.87 55.58 1u6p n SER 54 Cb 0.53 1.13 0.08 0.00 -0.75 0.00 0.00 64.21 65.19 1u6p n SER 54 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1u6p n LEU 55 N 2.47 -1.47 0.00 2.46 7.94 -1.26 -5.37 117.00 121.78 1u6p n LEU 55 Ca 0.12 -1.98 0.00 0.00 -1.11 0.00 0.00 56.01 53.04 1u6p n LEU 55 Cb 0.63 0.66 0.00 0.00 0.53 0.00 0.00 43.42 45.24 1u6p n LEU 55 CO -0.07 1.63 0.00 -0.11 -1.11 0.00 0.00 177.39 177.73