#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmm s GLN 2 N 0.00 4.44 0.21 0.03 2.00 -1.26 -2.33 119.66 122.75 2rmm s GLN 2 Ca 0.00 1.84 0.09 0.00 -2.00 0.00 0.00 55.36 55.29 2rmm s GLN 2 Cb 0.00 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 2rmm s GLN 2 CO 0.00 -0.23 -0.16 0.71 -0.50 0.00 0.00 175.29 175.11 2rmm s TYR 3 N 0.74 1.85 0.08 1.67 2.02 0.10 -4.91 117.35 118.90 2rmm s TYR 3 Ca 0.58 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2rmm s TYR 3 Cb -0.31 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.36 2rmm s TYR 3 CO 0.31 0.43 -0.09 0.21 -1.57 0.00 0.00 175.55 174.85 2rmm s LYS 4 N -3.45 0.76 -0.05 -0.62 2.20 -0.96 -1.33 119.74 116.28 2rmm s LYS 4 Ca 0.23 -1.09 0.02 0.00 -0.36 0.00 0.00 55.97 54.76 2rmm s LYS 4 Cb -0.03 -0.39 0.02 0.00 -1.51 0.00 0.00 37.83 35.92 2rmm s LYS 4 CO 0.08 0.05 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.88 2rmm s LEU 5 N -2.34 1.46 -0.18 5.43 1.98 0.32 -0.38 118.68 124.97 2rmm s LEU 5 Ca 0.03 -0.20 -0.03 0.00 -2.89 0.00 0.00 54.13 51.03 2rmm s LEU 5 Cb -0.03 -0.61 -0.02 0.00 0.66 0.00 0.00 46.19 46.19 2rmm s LEU 5 CO -0.01 -0.02 -0.06 -0.63 -1.89 0.00 0.00 176.35 173.75 2rmm s ILE 6 N 0.83 3.48 -0.26 6.68 1.01 -0.06 -1.08 121.20 131.80 2rmm s ILE 6 Ca -0.12 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2rmm s ILE 6 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.79 2rmm s ILE 6 CO 0.01 0.46 -0.01 -0.22 0.00 0.00 0.00 174.94 175.18 2rmm s LEU 7 N 0.95 3.34 -0.22 2.97 2.96 0.21 -0.57 118.68 128.31 2rmm s LEU 7 Ca -0.00 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 2rmm s LEU 7 Cb -0.15 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2rmm s LEU 7 CO 0.01 -0.12 -0.15 0.20 -1.32 0.00 0.00 176.35 174.97 2rmm s ASN 8 N 1.42 3.86 0.28 3.68 0.01 0.35 -1.32 114.94 123.22 2rmm s ASN 8 Ca 0.02 -1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 50.91 2rmm s ASN 8 Cb -0.16 -1.51 0.02 0.00 0.41 0.00 0.00 41.25 40.01 2rmm s ASN 8 CO -0.02 -0.11 0.70 -0.83 -1.51 0.00 0.00 177.10 175.34 2rmm s GLY 9 N 1.19 -0.01 -0.03 0.66 0.00 -1.15 -1.64 107.32 106.34 2rmm s GLY 9 Ca -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 2rmm s GLY 9 CO -0.08 -0.15 0.71 0.50 0.00 0.00 0.00 173.10 174.08 2rmm h LYS 10 N 2.02 0.21 -0.01 2.90 1.57 -1.94 -3.37 116.57 117.96 2rmm h LYS 10 Ca -0.20 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.12 2rmm h LYS 10 Cb 1.25 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.70 2rmm h LYS 10 CO 0.25 1.03 -0.39 1.79 -0.57 0.00 0.00 179.45 181.56 2rmm h THR 11 N 0.06 1.49 -3.55 -0.16 1.35 -2.00 -3.48 112.91 106.62 2rmm h THR 11 Ca -0.29 -1.99 -0.14 0.00 -0.55 0.00 0.00 66.41 63.44 2rmm h THR 11 Cb 2.02 2.68 -0.20 0.00 -1.73 0.00 0.00 68.15 70.91 2rmm h THR 11 CO 0.13 0.56 -0.50 -0.22 -0.25 0.00 0.00 175.52 175.24 2rmm s LEU 12 N -8.45 1.61 0.12 3.87 0.20 -1.26 -5.18 118.68 109.58 2rmm s LEU 12 Ca -0.15 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.47 2rmm s LEU 12 Cb 0.02 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.38 2rmm s LEU 12 CO 0.77 -0.37 -0.09 -0.54 -0.29 0.00 0.00 176.35 175.83 2rmm s LYS 13 N -1.45 0.93 0.00 1.98 1.02 -1.26 -2.94 119.74 118.02 2rmm s LYS 13 Ca -0.15 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.52 2rmm s LYS 13 Cb -0.08 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 2rmm s LYS 13 CO 0.01 0.05 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2rmm n GLY 14 N 0.08 -1.43 3.05 -3.33 0.00 -0.44 -4.99 105.19 98.13 2rmm n GLY 14 Ca -0.13 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 2rmm n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmm s GLU 15 N -1.09 0.20 0.07 1.61 2.02 -1.26 -0.62 118.70 119.64 2rmm s GLU 15 Ca 0.00 0.42 0.01 0.00 0.02 0.00 0.00 54.97 55.42 2rmm s GLU 15 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 2rmm s GLU 15 CO 0.00 -0.12 -0.05 0.95 0.02 0.00 0.00 175.26 176.06 2rmm s THR 16 N 0.83 0.49 -0.04 3.63 -4.23 -0.24 -5.01 115.64 111.06 2rmm s THR 16 Ca -0.06 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.67 2rmm s THR 16 Cb -0.07 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.35 2rmm s THR 16 CO -0.05 -0.84 0.12 -0.89 -0.54 0.00 0.00 174.62 172.42 2rmm s THR 17 N -3.34 0.00 0.17 3.99 2.01 -1.26 -0.52 115.64 116.69 2rmm s THR 17 Ca 0.06 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 2rmm s THR 17 Cb 0.04 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 2rmm s THR 17 CO -0.06 -0.02 0.23 0.28 -0.69 0.00 0.00 174.62 174.36 2rmm s THR 18 N -0.01 0.06 -0.11 -0.82 -1.32 -0.44 -5.01 115.64 107.99 2rmm s THR 18 Ca -0.01 -1.59 0.02 0.00 -1.21 0.00 0.00 61.69 58.90 2rmm s THR 18 Cb -0.01 -1.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2rmm s THR 18 CO 0.00 -0.28 -0.17 -0.70 -2.21 0.00 0.00 174.62 171.26 2rmm s GLU 19 N -4.01 2.37 0.26 7.08 2.12 -1.26 -0.72 118.70 124.53 2rmm s GLU 19 Ca 0.22 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.94 2rmm s GLU 19 Cb 0.04 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 2rmm s GLU 19 CO 0.02 -0.04 0.12 0.00 -0.54 0.00 0.00 175.26 174.83 2rmm s ALA 20 N 0.92 1.65 0.16 6.30 0.00 -0.98 -4.94 121.76 124.87 2rmm s ALA 20 Ca -0.07 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 2rmm s ALA 20 Cb -0.15 1.16 0.03 0.00 0.00 0.00 0.00 23.12 24.16 2rmm s ALA 20 CO -0.01 -0.51 1.59 -0.24 0.00 0.00 0.00 175.76 176.59 2rmm h VAL 21 N 2.40 1.27 -3.69 0.00 3.04 -1.95 -2.00 116.25 115.31 2rmm h VAL 21 Ca -0.36 -1.25 -0.07 0.00 -1.01 0.00 0.00 66.70 64.01 2rmm h VAL 21 Cb 1.25 0.98 -0.09 0.00 -2.01 0.00 0.00 31.29 31.42 2rmm h VAL 21 CO 0.56 0.44 -0.14 1.51 -1.01 0.00 0.00 177.57 178.93 2rmm s ASP 22 N -6.60 -0.08 0.56 3.17 1.47 -1.26 -4.59 116.67 109.33 2rmm s ASP 22 Ca -0.12 -0.95 0.26 0.00 1.18 0.00 0.00 52.55 52.93 2rmm s ASP 22 Cb 0.13 0.58 1.47 0.00 -0.34 0.00 0.00 42.92 44.76 2rmm s ASP 22 CO 0.86 -1.12 2.02 0.00 0.68 0.00 0.00 175.17 177.60 2rmm h ALA 23 N 2.27 2.22 0.08 2.11 0.00 -1.96 -0.45 119.26 123.54 2rmm h ALA 23 Ca -0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 2rmm h ALA 23 Cb 1.25 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2rmm h ALA 23 CO 0.36 -0.52 -1.14 0.00 0.00 0.00 0.00 179.25 177.95 2rmm h ALA 24 N 1.72 0.16 -0.26 0.00 0.00 -1.97 -0.03 119.26 118.88 2rmm h ALA 24 Ca 0.18 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2rmm h ALA 24 Cb 0.83 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2rmm h ALA 24 CO -0.00 0.82 -0.17 1.15 0.00 0.00 0.00 179.25 181.05 2rmm h THR 25 N 0.20 1.31 -0.73 0.00 2.02 -1.74 -0.33 112.91 113.64 2rmm h THR 25 Ca -0.13 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 2rmm h THR 25 Cb 1.81 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 69.78 2rmm h THR 25 CO 0.20 0.40 0.44 0.00 0.37 0.00 0.00 175.52 176.94 2rmm h ALA 26 N 0.71 1.40 -0.72 6.16 0.00 -1.16 0.07 119.26 125.72 2rmm h ALA 26 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2rmm h ALA 26 Cb 0.70 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2rmm h ALA 26 CO 0.05 0.52 0.24 1.49 0.00 0.00 0.00 179.25 181.54 2rmm h GLU 27 N 1.00 1.11 -0.33 0.00 4.81 -0.95 -1.11 114.58 119.10 2rmm h GLU 27 Ca 0.26 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2rmm h GLU 27 Cb -0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2rmm h GLU 27 CO -0.05 0.93 0.02 -0.22 -0.73 0.00 0.00 179.01 178.97 2rmm h LYS 28 N 1.07 0.57 0.07 1.92 3.64 0.12 0.28 116.57 124.23 2rmm h LYS 28 Ca 0.24 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2rmm h LYS 28 Cb 0.28 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2rmm h LYS 28 CO -0.01 0.68 -0.06 0.28 -2.27 0.00 0.00 179.45 178.07 2rmm h VAL 29 N 0.38 0.87 -1.00 2.00 2.07 -0.95 -1.04 116.25 118.59 2rmm h VAL 29 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.65 2rmm h VAL 29 Cb 0.41 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2rmm h VAL 29 CO 0.01 0.00 0.65 -0.26 0.02 0.00 0.00 177.57 178.00 2rmm h PHE 30 N -0.13 1.22 0.00 1.57 0.04 -1.17 -1.61 116.94 116.85 2rmm h PHE 30 Ca 0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 2rmm h PHE 30 Cb 0.13 -0.41 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 2rmm h PHE 30 CO -0.10 0.71 -0.24 0.87 -0.60 0.00 0.00 178.31 178.96 2rmm h LYS 31 N 1.27 0.00 -0.22 1.51 1.57 -0.70 -0.63 116.57 119.37 2rmm h LYS 31 Ca 0.39 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.01 2rmm h LYS 31 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2rmm h LYS 31 CO -0.12 0.24 -0.50 1.96 -0.57 0.00 0.00 179.45 180.45 2rmm h GLN 32 N 0.00 0.72 -0.08 3.15 4.20 -0.21 -3.26 115.11 119.62 2rmm h GLN 32 Ca -0.00 -0.49 -0.17 0.00 0.06 0.00 0.00 58.65 58.05 2rmm h GLN 32 Cb 0.56 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2rmm h GLN 32 CO 0.03 1.11 -0.69 1.88 -0.67 0.00 0.00 178.83 180.49 2rmm h TYR 33 N 0.44 0.50 -3.27 2.96 -1.99 -1.38 -3.45 116.97 110.77 2rmm h TYR 33 Ca -0.00 -0.21 -0.52 0.00 2.00 0.00 0.00 58.73 59.99 2rmm h TYR 33 Cb 1.11 -0.08 -0.38 0.00 2.00 0.00 0.00 36.73 39.39 2rmm h TYR 33 CO 0.09 0.95 -0.79 -0.06 -0.00 0.00 0.00 178.16 178.35 2rmm s PHE 34 N -3.66 1.41 0.00 4.88 0.08 -0.25 -4.92 117.98 115.52 2rmm s PHE 34 Ca -0.05 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.18 2rmm s PHE 34 Cb 0.11 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2rmm s PHE 34 CO 0.83 -0.54 0.00 0.27 -0.10 0.00 0.00 175.22 175.68 2rmm n ASN 35 N 4.96 0.00 -0.29 1.36 0.23 -1.26 -4.11 115.26 116.14 2rmm n ASN 35 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2rmm n ASN 35 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2rmm n ASN 35 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2rmm n ASP 36 N -1.22 0.00 -0.33 0.53 2.03 -1.26 -4.15 116.55 112.16 2rmm n ASP 36 Ca 0.00 -1.01 0.05 0.00 0.52 0.00 0.00 54.79 54.35 2rmm n ASP 36 Cb 0.00 -0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.63 2rmm n ASP 36 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2rmm h ASN 37 N 0.00 0.93 0.00 1.67 2.35 -1.96 -3.43 115.58 115.14 2rmm h ASN 37 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2rmm h ASN 37 Cb 1.00 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2rmm h ASN 37 CO 0.00 0.57 0.00 0.61 -1.65 0.00 0.00 177.43 176.96 2rmm n GLY 38 N -1.38 0.00 1.83 2.83 0.00 -1.26 -5.08 105.19 102.12 2rmm n GLY 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2rmm n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2rmm n VAL 39 N 0.00 0.00 -4.41 1.61 3.14 -1.26 -4.22 118.33 113.19 2rmm n VAL 39 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 2rmm n VAL 39 Cb 0.00 -0.30 -0.07 0.00 -1.06 0.00 0.00 33.84 32.42 2rmm n VAL 39 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2rmm n ASP 40 N -2.42 -1.76 -4.80 6.55 2.03 -1.26 -4.81 116.55 110.09 2rmm n ASP 40 Ca 0.00 -1.18 -0.29 0.00 0.52 0.00 0.00 54.79 53.83 2rmm n ASP 40 Cb 0.00 -1.97 0.11 0.00 -0.72 0.00 0.00 41.12 38.54 2rmm n ASP 40 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2rmm s GLY 41 N -3.47 1.60 -0.09 0.27 0.00 -1.26 -4.93 107.32 99.45 2rmm s GLY 41 Ca 0.66 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 2rmm s GLY 41 CO 0.99 0.14 1.27 1.85 0.00 0.00 0.00 173.10 177.36 2rmm s GLU 42 N -5.21 4.29 0.27 2.90 2.12 -0.60 -4.67 118.70 117.80 2rmm s GLU 42 Ca 0.62 1.73 -0.28 0.00 0.36 0.00 0.00 54.97 57.40 2rmm s GLU 42 Cb -0.14 -3.65 -0.09 0.00 0.26 0.00 0.00 34.13 30.50 2rmm s GLU 42 CO 0.54 -0.58 0.93 -1.58 -0.54 0.00 0.00 175.26 174.03 2rmm s TRP 43 N 2.79 3.86 0.04 5.30 0.52 -1.26 -1.67 118.94 128.53 2rmm s TRP 43 Ca 0.57 1.84 0.00 0.00 0.02 0.00 0.00 56.10 58.54 2rmm s TRP 43 Cb -0.25 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.10 2rmm s TRP 43 CO 0.20 0.37 -0.04 0.99 0.02 0.00 0.00 176.95 178.49 2rmm s THR 44 N -1.35 0.28 -0.04 2.01 2.01 0.04 -5.00 115.64 113.59 2rmm s THR 44 Ca 0.44 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 2rmm s THR 44 Cb -0.23 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.39 2rmm s THR 44 CO 0.28 -0.70 0.10 -0.47 -0.69 0.00 0.00 174.62 173.14 2rmm s TYR 45 N -2.54 -0.10 -0.34 4.92 5.04 -1.26 -0.80 117.35 122.26 2rmm s TYR 45 Ca -0.04 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2rmm s TYR 45 Cb -0.02 -0.02 0.09 0.00 0.35 0.00 0.00 41.96 42.36 2rmm s TYR 45 CO -0.04 -0.08 0.06 -0.51 -1.34 0.00 0.00 175.55 173.64 2rmm s ASP 46 N 0.42 4.86 0.39 4.32 1.01 -0.15 -5.01 116.67 122.50 2rmm s ASP 46 Ca -0.03 -1.97 0.13 0.00 0.71 0.00 0.00 52.55 51.40 2rmm s ASP 46 Cb -0.04 -1.67 0.78 0.00 1.01 0.00 0.00 42.92 43.00 2rmm s ASP 46 CO -0.02 -0.39 1.86 -0.78 0.21 0.00 0.00 175.17 176.06 2rmm h ASP 47 N 7.76 0.00 -0.01 0.27 3.58 -1.96 -2.34 116.42 123.72 2rmm h ASP 47 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2rmm h ASP 47 Cb 1.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2rmm h ASP 47 CO 0.56 0.33 0.08 0.00 -2.88 0.00 0.00 179.24 177.33 2rmm h ALA 48 N 1.67 1.17 0.00 -0.78 0.00 -1.96 -2.48 119.26 116.88 2rmm h ALA 48 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rmm h ALA 48 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2rmm h ALA 48 CO 0.04 -0.09 -0.06 -2.37 0.00 0.00 0.00 179.25 176.77 2rmm n THR 49 N -3.16 0.68 -4.36 0.00 5.66 -1.11 -5.04 114.28 106.95 2rmm n THR 49 Ca -0.02 -0.74 -0.36 0.00 -3.05 0.00 0.00 64.05 59.88 2rmm n THR 49 Cb 0.15 0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 69.42 2rmm n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2rmm n LYS 50 N -0.41 -1.50 -4.66 1.09 4.76 -0.93 -4.88 118.16 111.64 2rmm n LYS 50 Ca 0.02 0.19 -0.24 0.00 -2.87 0.00 0.00 58.31 55.42 2rmm n LYS 50 Cb 0.44 -4.42 -0.16 0.00 -1.84 0.00 0.00 35.03 29.05 2rmm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2rmm s THR 51 N -3.68 1.17 -0.02 -0.18 2.01 -0.94 -2.26 115.64 111.74 2rmm s THR 51 Ca 0.48 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2rmm s THR 51 Cb -0.27 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2rmm s THR 51 CO 0.99 0.34 0.17 -0.36 -0.69 0.00 0.00 174.62 175.07 2rmm s PHE 52 N 0.06 3.52 0.08 4.92 0.40 0.49 -0.98 117.98 126.47 2rmm s PHE 52 Ca -0.03 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.72 2rmm s PHE 52 Cb -0.10 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 2rmm s PHE 52 CO 0.01 0.64 -0.18 0.99 0.70 0.00 0.00 175.22 177.38 2rmm s THR 53 N -1.29 1.48 -0.08 0.64 2.01 0.02 -0.88 115.64 117.53 2rmm s THR 53 Ca 0.26 -1.36 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 2rmm s THR 53 Cb -0.12 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.06 2rmm s THR 53 CO 0.17 -0.05 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.31 2rmm s VAL 54 N -1.09 0.77 -0.17 3.82 1.01 0.26 -0.78 120.40 124.22 2rmm s VAL 54 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 2rmm s VAL 54 Cb -0.10 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.52 2rmm s VAL 54 CO 0.03 0.31 0.03 -0.89 0.00 0.00 0.00 175.10 174.58 2rmm s THR 55 N 1.53 0.49 -2.00 3.92 2.01 -0.67 -0.50 115.64 120.42 2rmm s THR 55 Ca -0.00 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.60 2rmm s THR 55 Cb -0.13 -0.94 0.14 0.00 0.01 0.00 0.00 72.50 71.57 2rmm s THR 55 CO -0.05 -0.14 0.76 1.21 -0.69 0.00 0.00 174.62 175.71