#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 4.63 0.20 2.12 0.74 -1.26 -1.57 119.66 124.53 2rmm s GLN 2 Ca 0.00 1.31 0.09 0.00 0.05 0.00 0.00 55.36 56.81 2rmm s GLN 2 Cb 0.00 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 2rmm s GLN 2 CO 0.00 0.27 -0.17 0.71 -0.55 0.00 0.00 175.29 175.55 2rmm s TYR 3 N -0.13 1.85 0.11 1.67 1.51 0.26 -4.90 117.35 117.73 2rmm s TYR 3 Ca 0.43 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 2rmm s TYR 3 Cb -0.23 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2rmm s TYR 3 CO 0.28 0.41 -0.12 0.21 -1.11 0.00 0.00 175.55 175.22 2rmm s LYS 4 N -3.33 0.95 -0.04 -0.62 2.20 -0.84 -1.63 119.74 116.43 2rmm s LYS 4 Ca 0.21 -1.22 0.02 0.00 -0.36 0.00 0.00 55.97 54.63 2rmm s LYS 4 Cb -0.03 -0.72 0.01 0.00 -1.51 0.00 0.00 37.83 35.58 2rmm s LYS 4 CO 0.08 0.13 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.95 2rmm s LEU 5 N -2.50 1.62 -0.15 5.43 1.98 0.55 -0.12 118.68 125.49 2rmm s LEU 5 Ca 0.08 -0.17 -0.00 0.00 -2.89 0.00 0.00 54.13 51.14 2rmm s LEU 5 Cb -0.04 -0.53 -0.01 0.00 0.66 0.00 0.00 46.19 46.28 2rmm s LEU 5 CO 0.02 0.02 -0.14 -0.63 -1.89 0.00 0.00 176.35 173.73 2rmm s ILE 6 N 0.49 2.85 -0.27 6.68 1.01 -0.16 -1.12 121.20 130.68 2rmm s ILE 6 Ca -0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2rmm s ILE 6 Cb -0.11 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2rmm s ILE 6 CO 0.01 0.51 0.04 -0.22 0.00 0.00 0.00 174.94 175.28 2rmm s LEU 7 N 0.74 3.55 -0.24 2.97 2.96 0.10 -0.66 118.68 128.09 2rmm s LEU 7 Ca -0.06 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 2rmm s LEU 7 Cb -0.15 -1.83 0.05 0.00 0.50 0.00 0.00 46.19 44.76 2rmm s LEU 7 CO 0.01 -0.14 -0.13 0.20 -1.32 0.00 0.00 176.35 174.98 2rmm s ASN 8 N 1.48 4.12 0.18 3.68 0.01 0.20 -1.72 114.94 122.89 2rmm s ASN 8 Ca 0.03 -1.21 -0.24 0.00 -0.71 0.00 0.00 52.86 50.73 2rmm s ASN 8 Cb -0.16 -1.53 0.05 0.00 0.41 0.00 0.00 41.25 40.02 2rmm s ASN 8 CO 0.01 -0.14 0.85 -0.83 -1.51 0.00 0.00 177.10 175.47 2rmm s GLY 9 N 1.15 -0.24 0.12 0.66 0.00 -1.06 -2.79 107.32 105.16 2rmm s GLY 9 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.73 2rmm s GLY 9 CO -0.07 0.02 1.28 0.50 0.00 0.00 0.00 173.10 174.83 2rmm h LYS 10 N 2.00 0.39 0.08 2.90 1.57 -1.97 -3.35 116.57 118.19 2rmm h LYS 10 Ca -0.23 -0.45 -0.28 0.00 -1.87 0.00 0.00 60.65 57.82 2rmm h LYS 10 Cb 1.24 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2rmm h LYS 10 CO 0.26 1.12 -1.38 1.79 -0.57 0.00 0.00 179.45 180.68 2rmm h THR 11 N 0.21 1.31 -2.77 -0.16 1.35 -1.98 -3.48 112.91 107.39 2rmm h THR 11 Ca -0.09 -2.98 -0.11 0.00 -0.55 0.00 0.00 66.41 62.69 2rmm h THR 11 Cb 1.64 2.78 -0.21 0.00 -1.73 0.00 0.00 68.15 70.63 2rmm h THR 11 CO 0.17 0.83 -0.18 -0.22 -0.25 0.00 0.00 175.52 175.87 2rmm s LEU 12 N -6.85 0.47 0.06 3.87 2.96 -1.26 -5.17 118.68 112.76 2rmm s LEU 12 Ca -0.05 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 2rmm s LEU 12 Cb 0.08 1.54 -0.03 0.00 0.50 0.00 0.00 46.19 48.28 2rmm s LEU 12 CO 0.85 -0.41 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.84 2rmm s LYS 13 N -0.95 0.66 0.00 1.98 1.02 -1.26 -2.57 119.74 118.62 2rmm s LYS 13 Ca -0.10 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 54.97 2rmm s LYS 13 Cb -0.04 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2rmm s LYS 13 CO 0.04 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 2rmm n GLY 14 N 1.13 -1.59 3.03 -3.33 0.00 -0.70 -4.99 105.19 98.75 2rmm n GLY 14 Ca -0.20 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.39 0.19 0.09 1.61 2.02 -1.26 -0.72 118.70 119.23 2rmm s GLU 15 Ca 0.00 0.45 0.02 0.00 0.02 0.00 0.00 54.97 55.46 2rmm s GLU 15 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 2rmm s GLU 15 CO 0.00 -0.14 -0.07 0.95 0.02 0.00 0.00 175.26 176.02 2rmm s THR 16 N 1.03 0.67 -0.09 3.63 -4.23 -0.27 -5.01 115.64 111.36 2rmm s THR 16 Ca -0.08 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 58.54 2rmm s THR 16 Cb -0.09 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.23 2rmm s THR 16 CO -0.06 -0.81 0.23 -0.89 -0.54 0.00 0.00 174.62 172.54 2rmm s THR 17 N -3.34 -0.00 0.07 3.99 2.01 -1.26 -0.33 115.64 116.78 2rmm s THR 17 Ca 0.09 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 2rmm s THR 17 Cb 0.03 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 2rmm s THR 17 CO -0.04 0.01 0.07 0.28 -0.69 0.00 0.00 174.62 174.25 2rmm s THR 18 N 0.23 0.18 -0.19 -0.82 -1.32 -0.65 -5.02 115.64 108.05 2rmm s THR 18 Ca -0.01 -1.51 -0.01 0.00 -1.21 0.00 0.00 61.69 58.96 2rmm s THR 18 Cb -0.02 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.55 2rmm s THR 18 CO -0.01 -0.83 -0.15 -0.70 -2.21 0.00 0.00 174.62 170.72 2rmm s GLU 19 N -3.87 3.12 0.20 7.08 2.12 -1.26 -0.57 118.70 125.51 2rmm s GLU 19 Ca 0.06 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.63 2rmm s GLU 19 Cb 0.06 -2.71 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 2rmm s GLU 19 CO -0.10 -0.19 0.06 0.00 -0.54 0.00 0.00 175.26 174.48 2rmm s ALA 20 N 1.32 1.36 0.24 6.30 0.00 -0.61 -4.93 121.76 125.44 2rmm s ALA 20 Ca 0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.30 2rmm s ALA 20 Cb -0.14 0.88 0.26 0.00 0.00 0.00 0.00 23.12 24.13 2rmm s ALA 20 CO -0.09 -0.43 1.70 -0.24 0.00 0.00 0.00 175.76 176.70 2rmm h VAL 21 N 2.61 1.26 -3.44 0.00 3.04 -1.95 -1.01 116.25 116.76 2rmm h VAL 21 Ca -0.37 -1.16 -0.05 0.00 -1.01 0.00 0.00 66.70 64.12 2rmm h VAL 21 Cb 1.22 1.03 -0.06 0.00 -2.01 0.00 0.00 31.29 31.47 2rmm h VAL 21 CO 0.60 0.40 0.02 1.51 -1.01 0.00 0.00 177.57 179.09 2rmm s ASP 22 N -6.69 0.01 0.47 3.17 1.47 -1.26 -4.54 116.67 109.30 2rmm s ASP 22 Ca -0.09 -0.95 0.17 0.00 1.18 0.00 0.00 52.55 52.85 2rmm s ASP 22 Cb 0.14 0.68 1.16 0.00 -0.34 0.00 0.00 42.92 44.56 2rmm s ASP 22 CO 0.82 -1.30 2.02 0.00 0.68 0.00 0.00 175.17 177.39 2rmm h ALA 23 N 2.13 2.13 -0.09 2.11 0.00 -1.96 -1.36 119.26 122.23 2rmm h ALA 23 Ca -0.25 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 2rmm h ALA 23 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2rmm h ALA 23 CO 0.33 -0.24 -0.78 0.00 0.00 0.00 0.00 179.25 178.55 2rmm h ALA 24 N 1.76 0.47 -0.24 0.00 0.00 -1.97 0.46 119.26 119.74 2rmm h ALA 24 Ca 0.22 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2rmm h ALA 24 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rmm h ALA 24 CO -0.04 0.74 -0.10 1.15 0.00 0.00 0.00 179.25 181.01 2rmm h THR 25 N 0.35 1.30 -0.84 0.00 2.02 -1.79 0.71 112.91 114.65 2rmm h THR 25 Ca -0.05 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 2rmm h THR 25 Cb 1.39 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 2rmm h THR 25 CO 0.14 0.36 0.41 0.00 0.37 0.00 0.00 175.52 176.80 2rmm h ALA 26 N 0.74 1.14 -0.85 6.16 0.00 -1.27 -0.14 119.26 125.04 2rmm h ALA 26 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2rmm h ALA 26 Cb 0.58 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2rmm h ALA 26 CO 0.03 0.65 0.49 1.49 0.00 0.00 0.00 179.25 181.91 2rmm h GLU 27 N 1.19 1.16 -0.40 0.00 4.81 -0.87 -0.57 114.58 119.90 2rmm h GLU 27 Ca 0.29 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2rmm h GLU 27 Cb 0.10 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2rmm h GLU 27 CO -0.04 0.84 0.04 -0.22 -0.73 0.00 0.00 179.01 178.90 2rmm h LYS 28 N 1.17 0.67 -0.09 1.92 3.64 -0.16 0.07 116.57 123.79 2rmm h LYS 28 Ca 0.30 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2rmm h LYS 28 Cb -0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2rmm h LYS 28 CO -0.05 0.74 -0.00 0.28 -2.27 0.00 0.00 179.45 178.15 2rmm h VAL 29 N 0.51 0.94 -0.59 2.00 2.07 -0.87 -0.61 116.25 119.70 2rmm h VAL 29 Ca 0.12 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2rmm h VAL 29 Cb 0.41 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2rmm h VAL 29 CO 0.01 0.01 0.39 -0.26 0.02 0.00 0.00 177.57 177.73 2rmm h PHE 30 N 0.03 0.75 0.00 1.57 0.04 -1.04 -1.95 116.94 116.35 2rmm h PHE 30 Ca 0.04 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 2rmm h PHE 30 Cb 0.05 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.94 2rmm h PHE 30 CO -0.12 0.48 -0.24 0.87 -0.60 0.00 0.00 178.31 178.70 2rmm h LYS 31 N 0.80 0.00 -0.16 1.51 1.57 -0.85 -0.09 116.57 119.34 2rmm h LYS 31 Ca 0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2rmm h LYS 31 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2rmm h LYS 31 CO -0.05 0.24 -0.43 1.96 -0.57 0.00 0.00 179.45 180.60 2rmm h GLN 32 N 0.00 0.38 0.00 3.15 4.20 -0.39 -1.38 115.11 121.07 2rmm h GLN 32 Ca -0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2rmm h GLN 32 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2rmm h GLN 32 CO 0.03 0.74 -0.13 1.88 -0.67 0.00 0.00 178.83 180.68 2rmm h TYR 33 N 0.31 0.00 -0.04 2.96 -1.99 -0.97 -3.37 116.97 113.88 2rmm h TYR 33 Ca 0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2rmm h TYR 33 Cb 0.89 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.57 2rmm h TYR 33 CO 0.02 0.10 -0.55 1.19 -0.00 0.00 0.00 178.16 178.92 2rmm n PHE 34 N -3.11 0.13 -0.15 4.88 3.72 -0.08 -4.91 117.46 117.94 2rmm n PHE 34 Ca 0.03 -1.48 -0.02 0.00 -0.05 0.00 0.00 57.45 55.94 2rmm n PHE 34 Cb 0.57 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 2rmm n PHE 34 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2rmm n ASN 35 N -1.01 0.82 -3.66 4.37 6.94 -0.53 -4.59 115.26 117.60 2rmm n ASN 35 Ca 0.19 -1.62 -0.30 0.00 -0.02 0.00 0.00 54.58 52.83 2rmm n ASN 35 Cb 0.73 -0.22 0.04 0.00 -2.36 0.00 0.00 39.78 37.98 2rmm n ASN 35 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2rmm n ASP 36 N 2.84 -5.43 -0.16 0.53 2.03 -1.26 -4.93 116.55 110.16 2rmm n ASP 36 Ca 0.06 -0.99 -0.06 0.00 0.52 0.00 0.00 54.79 54.32 2rmm n ASP 36 Cb 0.14 -3.41 0.11 0.00 -0.72 0.00 0.00 41.12 37.23 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 -1.78 0.90 0.00 1.67 2.35 -1.91 -3.45 115.58 113.36 2rmm h ASN 37 Ca -0.65 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 2rmm h ASN 37 Cb 1.35 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2rmm h ASN 37 CO 0.47 0.94 0.00 0.61 -1.65 0.00 0.00 177.43 177.80 2rmm n GLY 38 N -0.59 0.00 2.04 2.83 0.00 -1.26 -5.08 105.19 103.13 2rmm n GLY 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.68 1.61 3.14 -1.26 -4.63 118.33 113.51 2rmm n VAL 39 Ca 0.00 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 2rmm n VAL 39 Cb 0.00 -0.19 -0.04 0.00 -1.06 0.00 0.00 33.84 32.55 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 -2.73 -0.31 -4.63 6.55 2.03 -1.26 -4.84 116.55 111.36 2rmm n ASP 40 Ca 0.00 -0.76 -0.29 0.00 0.52 0.00 0.00 54.79 54.26 2rmm n ASP 40 Cb 0.00 -0.93 0.19 0.00 -0.72 0.00 0.00 41.12 39.66 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 -3.91 1.57 -0.11 0.27 0.00 -1.26 -4.96 107.32 98.91 2rmm s GLY 41 Ca 0.09 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 2rmm s GLY 41 CO 0.58 0.39 1.96 1.85 0.00 0.00 0.00 173.10 177.88 2rmm s GLU 42 N -4.81 3.72 0.17 2.90 2.12 0.67 -4.67 118.70 118.80 2rmm s GLU 42 Ca 0.66 2.17 -0.30 0.00 0.36 0.00 0.00 54.97 57.86 2rmm s GLU 42 Cb -0.20 -4.20 -0.07 0.00 0.26 0.00 0.00 34.13 29.92 2rmm s GLU 42 CO 0.60 -1.42 0.95 -1.58 -0.54 0.00 0.00 175.26 173.27 2rmm s TRP 43 N 5.91 3.89 0.03 5.30 0.52 -1.26 -2.99 118.94 130.34 2rmm s TRP 43 Ca 0.88 1.85 0.00 0.00 0.02 0.00 0.00 56.10 58.85 2rmm s TRP 43 Cb -0.35 -3.02 -0.03 0.00 -1.15 0.00 0.00 33.47 28.93 2rmm s TRP 43 CO 0.36 0.32 -0.04 0.99 0.02 0.00 0.00 176.95 178.60 2rmm s THR 44 N -0.53 0.25 -0.05 2.01 2.01 -0.40 -5.01 115.64 113.92 2rmm s THR 44 Ca 0.44 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2rmm s THR 44 Cb -0.24 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.64 2rmm s THR 44 CO 0.31 -0.59 0.14 -0.47 -0.69 0.00 0.00 174.62 173.32 2rmm s TYR 45 N -2.01 -0.15 -0.18 4.92 5.04 -1.26 -1.16 117.35 122.54 2rmm s TYR 45 Ca -0.09 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 2rmm s TYR 45 Cb -0.06 0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.31 2rmm s TYR 45 CO -0.03 -0.08 -0.17 0.34 -1.34 0.00 0.00 175.55 174.28 2rmm s ASP 46 N 0.04 3.42 0.08 4.32 -1.08 0.38 -5.01 116.67 118.81 2rmm s ASP 46 Ca -0.00 -0.58 0.05 0.00 -0.52 0.00 0.00 52.55 51.50 2rmm s ASP 46 Cb -0.01 -1.54 -0.23 0.00 -1.46 0.00 0.00 42.92 39.68 2rmm s ASP 46 CO 0.00 0.01 1.12 -2.24 0.52 0.00 0.00 175.17 174.58 2rmm h ASP 47 N 7.86 0.11 -0.10 -0.34 2.03 -1.96 -1.14 116.42 122.88 2rmm h ASP 47 Ca -0.43 -0.13 0.03 0.00 -0.73 0.00 0.00 57.03 55.77 2rmm h ASP 47 Cb 1.15 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2rmm h ASP 47 CO 0.62 1.11 0.10 0.00 -1.03 0.00 0.00 179.24 180.03 2rmm h ALA 48 N 0.87 1.83 0.00 4.15 0.00 -1.97 -3.20 119.26 120.94 2rmm h ALA 48 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2rmm h ALA 48 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2rmm h ALA 48 CO 0.14 -0.15 0.00 0.25 0.00 0.00 0.00 179.25 179.49 2rmm n THR 49 N -4.07 0.00 -3.52 0.00 -2.24 -1.25 -5.04 114.28 98.16 2rmm n THR 49 Ca -0.00 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 2rmm n THR 49 Cb 0.20 1.16 0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2rmm n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2rmm n LYS 50 N -0.36 -7.21 -5.12 -0.78 4.76 -0.54 -4.87 118.16 104.04 2rmm n LYS 50 Ca 0.00 0.83 -0.29 0.00 -2.87 0.00 0.00 58.31 55.98 2rmm n LYS 50 Cb 0.04 -5.86 -0.16 0.00 -1.84 0.00 0.00 35.03 27.21 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 -3.35 1.82 0.01 -0.18 2.01 -0.55 -1.98 115.64 113.43 2rmm s THR 51 Ca 0.28 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2rmm s THR 51 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2rmm s THR 51 CO 0.73 0.51 0.01 -0.36 -0.69 0.00 0.00 174.62 174.82 2rmm s PHE 52 N -0.21 3.08 0.04 4.92 0.40 0.83 -0.47 117.98 126.57 2rmm s PHE 52 Ca -0.00 0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2rmm s PHE 52 Cb -0.12 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 2rmm s PHE 52 CO 0.02 0.47 -0.15 0.99 0.70 0.00 0.00 175.22 177.25 2rmm s THR 53 N -1.14 1.17 -0.08 0.64 2.01 -0.31 -0.99 115.64 116.94 2rmm s THR 53 Ca 0.21 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2rmm s THR 53 Cb -0.12 -1.06 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2rmm s THR 53 CO 0.12 -0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.32 2rmm s VAL 54 N -0.90 0.65 -0.01 3.82 1.01 0.16 -1.28 120.40 123.86 2rmm s VAL 54 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.94 2rmm s VAL 54 Cb -0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 2rmm s VAL 54 CO 0.01 0.30 -0.06 -0.89 0.00 0.00 0.00 175.10 174.46 2rmm s THR 55 N 1.66 0.51 -2.02 3.92 2.01 -1.16 -0.63 115.64 119.93 2rmm s THR 55 Ca 0.02 -0.26 0.32 0.00 0.31 0.00 0.00 61.69 62.07 2rmm s THR 55 Cb -0.13 -0.44 0.89 0.00 0.01 0.00 0.00 72.50 72.83 2rmm s THR 55 CO -0.05 0.15 2.21 -0.62 -0.69 0.00 0.00 174.62 175.62