#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 4.46 0.23 2.12 2.00 -1.26 -1.60 119.66 125.60 2rmm s GLN 2 Ca 0.00 1.85 0.09 0.00 -2.00 0.00 0.00 55.36 55.30 2rmm s GLN 2 Cb 0.00 -3.28 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 2rmm s GLN 2 CO 0.00 -0.18 -0.16 0.71 -0.50 0.00 0.00 175.29 175.16 2rmm s TYR 3 N 0.48 1.87 0.08 1.67 2.02 0.28 -4.88 117.35 118.87 2rmm s TYR 3 Ca 0.56 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.77 2rmm s TYR 3 Cb -0.32 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 2rmm s TYR 3 CO 0.33 0.45 -0.08 0.21 -1.57 0.00 0.00 175.55 174.89 2rmm s LYS 4 N -3.61 0.74 -0.02 -0.62 2.20 -0.26 -1.38 119.74 116.80 2rmm s LYS 4 Ca 0.25 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2rmm s LYS 4 Cb -0.02 -0.35 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 2rmm s LYS 4 CO 0.09 0.04 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.88 2rmm s LEU 5 N -2.39 1.74 -0.12 5.43 1.98 0.61 -0.19 118.68 125.74 2rmm s LEU 5 Ca 0.03 -0.13 0.03 0.00 -2.89 0.00 0.00 54.13 51.16 2rmm s LEU 5 Cb -0.02 -0.41 -0.00 0.00 0.66 0.00 0.00 46.19 46.41 2rmm s LEU 5 CO -0.02 0.03 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.64 2rmm s ILE 6 N 0.26 2.35 -0.24 6.68 1.01 0.07 -0.97 121.20 130.36 2rmm s ILE 6 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 2rmm s ILE 6 Cb -0.08 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2rmm s ILE 6 CO 0.00 0.55 0.02 -0.22 0.00 0.00 0.00 174.94 175.28 2rmm s LEU 7 N 0.43 3.22 -0.07 2.97 2.96 0.20 -0.49 118.68 127.90 2rmm s LEU 7 Ca -0.15 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2rmm s LEU 7 Cb -0.17 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2rmm s LEU 7 CO 0.06 -0.05 -0.25 0.20 -1.32 0.00 0.00 176.35 175.00 2rmm s ASN 8 N 1.53 3.07 0.00 3.68 0.01 0.47 -1.38 114.94 122.33 2rmm s ASN 8 Ca 0.06 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2rmm s ASN 8 Cb -0.15 -1.03 0.00 0.00 0.41 0.00 0.00 41.25 40.48 2rmm s ASN 8 CO 0.00 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.42 2rmm n GLY 9 N 3.14 0.45 0.13 0.66 0.00 -1.17 -3.45 105.19 104.95 2rmm n GLY 9 Ca -0.18 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2rmm n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rmm h LYS 10 N 0.00 0.37 0.00 1.61 1.57 -1.97 -3.37 116.57 114.78 2rmm h LYS 10 Ca 0.00 -0.53 -0.18 0.00 -1.87 0.00 0.00 60.65 58.07 2rmm h LYS 10 Cb 0.00 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2rmm h LYS 10 CO 0.00 1.21 -1.77 0.25 -0.57 0.00 0.00 179.45 178.57 2rmm n THR 11 N -3.64 0.97 -3.71 -0.16 -2.24 -1.26 -4.97 114.28 99.26 2rmm n THR 11 Ca -0.09 -0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 60.86 2rmm n THR 11 Cb 0.96 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.61 2rmm n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2rmm s LEU 12 N -5.43 0.52 0.10 3.22 2.96 -1.26 -5.18 118.68 113.62 2rmm s LEU 12 Ca -0.06 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2rmm s LEU 12 Cb 0.09 1.53 -0.04 0.00 0.50 0.00 0.00 46.19 48.27 2rmm s LEU 12 CO 0.84 -0.46 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.80 2rmm s LYS 13 N -1.18 0.84 0.00 1.98 1.02 -1.26 -3.03 119.74 118.10 2rmm s LYS 13 Ca -0.12 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.57 2rmm s LYS 13 Cb -0.04 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.99 2rmm s LYS 13 CO 0.05 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2rmm n GLY 14 N 0.08 -1.60 3.08 -3.33 0.00 -0.48 -4.96 105.19 97.97 2rmm n GLY 14 Ca -0.13 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.40 0.23 0.10 1.61 2.02 -1.26 -0.62 118.70 119.37 2rmm s GLU 15 Ca 0.00 0.50 0.02 0.00 0.02 0.00 0.00 54.97 55.50 2rmm s GLU 15 Cb 0.00 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 2rmm s GLU 15 CO 0.00 -0.13 -0.06 0.95 0.02 0.00 0.00 175.26 176.03 2rmm s THR 16 N 1.02 0.67 -0.05 3.63 -4.23 -0.15 -5.01 115.64 111.52 2rmm s THR 16 Ca -0.07 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2rmm s THR 16 Cb -0.08 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.07 2rmm s THR 16 CO -0.07 -0.86 0.17 -0.89 -0.54 0.00 0.00 174.62 172.43 2rmm s THR 17 N -3.64 0.02 0.10 3.99 2.01 -1.26 -0.29 115.64 116.57 2rmm s THR 17 Ca 0.12 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 61.88 2rmm s THR 17 Cb 0.05 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2rmm s THR 17 CO -0.05 -0.09 0.18 0.28 -0.69 0.00 0.00 174.62 174.26 2rmm s THR 18 N -0.25 0.14 -0.18 -0.82 -1.32 -0.48 -5.01 115.64 107.73 2rmm s THR 18 Ca -0.03 -1.28 -0.03 0.00 -1.21 0.00 0.00 61.69 59.14 2rmm s THR 18 Cb -0.03 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 2rmm s THR 18 CO 0.01 -0.62 -0.07 -0.70 -2.21 0.00 0.00 174.62 171.03 2rmm s GLU 19 N -3.89 3.46 0.19 7.08 2.12 -1.26 -0.56 118.70 125.84 2rmm s GLU 19 Ca 0.07 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2rmm s GLU 19 Cb 0.05 -2.87 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 2rmm s GLU 19 CO -0.09 0.04 0.05 0.00 -0.54 0.00 0.00 175.26 174.72 2rmm s ALA 20 N 0.85 1.34 0.14 6.30 0.00 -0.63 -4.93 121.76 124.82 2rmm s ALA 20 Ca -0.02 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.14 2rmm s ALA 20 Cb -0.15 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2rmm s ALA 20 CO 0.01 -0.42 1.65 -0.24 0.00 0.00 0.00 175.76 176.77 2rmm h VAL 21 N 2.64 1.22 -3.77 0.00 3.04 -1.95 -1.44 116.25 115.99 2rmm h VAL 21 Ca -0.37 -0.74 -0.08 0.00 -1.01 0.00 0.00 66.70 64.50 2rmm h VAL 21 Cb 1.22 0.90 -0.10 0.00 -2.01 0.00 0.00 31.29 31.29 2rmm h VAL 21 CO 0.60 0.26 -0.20 -0.62 -1.01 0.00 0.00 177.57 176.61 2rmm s ASP 22 N -5.99 -0.05 0.55 3.17 2.15 -1.26 -4.58 116.67 110.65 2rmm s ASP 22 Ca -0.13 -0.94 0.31 0.00 0.43 0.00 0.00 52.55 52.22 2rmm s ASP 22 Cb 0.10 0.54 1.47 0.00 -0.30 0.00 0.00 42.92 44.73 2rmm s ASP 22 CO 0.77 -1.06 1.88 0.00 -0.17 0.00 0.00 175.17 176.59 2rmm h ALA 23 N 2.34 2.69 0.12 3.66 0.00 -1.96 -0.51 119.26 125.61 2rmm h ALA 23 Ca -0.28 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.32 2rmm h ALA 23 Cb 1.25 0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.12 2rmm h ALA 23 CO 0.40 -1.03 -1.23 0.00 0.00 0.00 0.00 179.25 177.39 2rmm h ALA 24 N 1.51 0.07 -0.28 0.00 0.00 -1.97 -0.08 119.26 118.51 2rmm h ALA 24 Ca 0.38 -0.81 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2rmm h ALA 24 Cb 1.61 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2rmm h ALA 24 CO -0.00 0.80 -0.30 1.15 0.00 0.00 0.00 179.25 180.90 2rmm h THR 25 N 0.19 1.30 -0.70 0.00 2.02 -1.65 -0.16 112.91 113.91 2rmm h THR 25 Ca -0.16 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 2rmm h THR 25 Cb 1.91 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 69.90 2rmm h THR 25 CO 0.22 0.47 0.35 0.00 0.37 0.00 0.00 175.52 176.93 2rmm h ALA 26 N 0.69 1.29 -0.79 6.16 0.00 -1.21 0.52 119.26 125.92 2rmm h ALA 26 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2rmm h ALA 26 Cb 0.87 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2rmm h ALA 26 CO 0.07 0.55 0.33 1.49 0.00 0.00 0.00 179.25 181.70 2rmm h GLU 27 N 0.99 1.16 -0.26 0.00 4.81 -0.97 -0.36 114.58 119.95 2rmm h GLU 27 Ca 0.24 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2rmm h GLU 27 Cb 0.08 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2rmm h GLU 27 CO -0.03 0.93 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.91 2rmm h LYS 28 N 1.14 0.49 0.00 1.92 3.64 -0.09 0.59 116.57 124.26 2rmm h LYS 28 Ca 0.27 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2rmm h LYS 28 Cb 0.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2rmm h LYS 28 CO -0.03 0.70 -0.00 0.28 -2.27 0.00 0.00 179.45 178.13 2rmm h VAL 29 N 0.25 1.00 -0.85 2.00 2.07 -0.86 -1.61 116.25 118.25 2rmm h VAL 29 Ca 0.07 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2rmm h VAL 29 Cb 0.51 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2rmm h VAL 29 CO 0.02 0.01 0.55 -0.26 0.02 0.00 0.00 177.57 177.91 2rmm h PHE 30 N -0.01 1.04 0.00 1.57 0.04 -1.04 -1.90 116.94 116.64 2rmm h PHE 30 Ca -0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2rmm h PHE 30 Cb 0.01 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.81 2rmm h PHE 30 CO -0.08 0.63 -0.02 0.87 -0.60 0.00 0.00 178.31 179.11 2rmm h LYS 31 N 1.11 0.00 -0.05 1.51 1.57 -0.75 -0.29 116.57 119.67 2rmm h LYS 31 Ca 0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2rmm h LYS 31 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2rmm h LYS 31 CO -0.09 0.02 -0.18 1.96 -0.57 0.00 0.00 179.45 180.59 2rmm h GLN 32 N 0.00 0.21 -0.22 3.15 4.20 -0.49 -1.86 115.11 120.11 2rmm h GLN 32 Ca -0.00 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 2rmm h GLN 32 Cb 0.47 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2rmm h GLN 32 CO 0.00 0.80 -0.27 1.88 -0.67 0.00 0.00 178.83 180.57 2rmm h TYR 33 N -0.34 0.47 -0.45 2.96 -1.99 -1.35 -3.32 116.97 112.95 2rmm h TYR 33 Ca -0.01 -0.10 -0.28 0.00 2.00 0.00 0.00 58.73 60.34 2rmm h TYR 33 Cb 0.83 -0.11 -0.18 0.00 2.00 0.00 0.00 36.73 39.27 2rmm h TYR 33 CO 0.14 0.66 -0.19 1.19 -0.00 0.00 0.00 178.16 179.95 2rmm n PHE 34 N -4.11 1.48 -0.23 4.88 3.72 -0.13 -4.83 117.46 118.24 2rmm n PHE 34 Ca -0.01 -1.85 -0.01 0.00 -0.05 0.00 0.00 57.45 55.54 2rmm n PHE 34 Cb 0.41 -0.52 0.10 0.00 -0.94 0.00 0.00 39.48 38.53 2rmm n PHE 34 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2rmm h ASN 35 N 1.31 0.51 0.00 4.37 -0.73 -1.44 -3.45 115.58 116.15 2rmm h ASN 35 Ca 0.26 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.47 2rmm h ASN 35 Cb 1.50 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.03 2rmm h ASN 35 CO 0.53 0.32 0.00 -0.90 -0.37 0.00 0.00 177.43 177.01 2rmm n ASP 36 N -4.81 -3.22 -2.50 1.15 5.68 -1.26 -4.86 116.55 106.72 2rmm n ASP 36 Ca 0.09 0.77 -0.11 0.00 -0.50 0.00 0.00 54.79 55.04 2rmm n ASP 36 Cb 0.19 3.06 -0.00 0.00 -1.14 0.00 0.00 41.12 43.23 2rmm n ASP 36 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2rmm n ASN 37 N -3.39 -3.44 -1.68 -1.12 3.02 -1.26 -1.36 115.26 106.04 2rmm n ASN 37 Ca 0.00 0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 2rmm n ASN 37 Cb 0.00 -2.94 -0.07 0.00 -0.61 0.00 0.00 39.78 36.16 2rmm n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rmm n GLY 38 N -0.78 1.55 0.00 7.41 0.00 -1.26 -4.82 105.19 107.30 2rmm n GLY 38 Ca -0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.67 0.04 -3.65 1.61 3.14 -0.46 -5.00 118.33 111.34 2rmm n VAL 39 Ca -0.21 -0.02 -0.25 0.00 -2.96 0.00 0.00 64.34 60.90 2rmm n VAL 39 Cb 0.67 -0.70 -0.06 0.00 -1.06 0.00 0.00 33.84 32.69 2rmm n VAL 39 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2rmm n ASP 40 N -2.34 -0.37 -4.68 6.55 5.75 -0.52 -4.73 116.55 116.22 2rmm n ASP 40 Ca -0.01 -0.86 -0.29 0.00 -0.01 0.00 0.00 54.79 53.61 2rmm n ASP 40 Cb 0.52 -1.09 0.16 0.00 -1.03 0.00 0.00 41.12 39.68 2rmm n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2rmm s GLY 41 N -3.19 1.60 -0.13 6.12 0.00 -1.26 -4.98 107.32 105.49 2rmm s GLY 41 Ca 0.31 -0.12 -0.29 0.00 0.00 0.00 0.00 44.72 44.61 2rmm s GLY 41 CO 0.69 0.42 1.75 1.85 0.00 0.00 0.00 173.10 177.82 2rmm s GLU 42 N -4.88 3.89 0.23 2.90 2.12 0.40 -4.73 118.70 118.63 2rmm s GLU 42 Ca 0.65 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 57.70 2rmm s GLU 42 Cb -0.19 -4.08 -0.09 0.00 0.26 0.00 0.00 34.13 30.03 2rmm s GLU 42 CO 0.58 -1.20 0.94 -1.58 -0.54 0.00 0.00 175.26 173.46 2rmm s TRP 43 N 5.09 3.97 0.04 5.30 0.52 -1.26 -2.94 118.94 129.65 2rmm s TRP 43 Ca 0.78 1.91 0.00 0.00 0.02 0.00 0.00 56.10 58.81 2rmm s TRP 43 Cb -0.31 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.00 2rmm s TRP 43 CO 0.32 0.44 -0.04 0.99 0.02 0.00 0.00 176.95 178.67 2rmm s THR 44 N -1.07 0.26 -0.07 2.01 2.01 -0.37 -5.01 115.64 113.40 2rmm s THR 44 Ca 0.41 -1.17 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 2rmm s THR 44 Cb -0.26 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.62 2rmm s THR 44 CO 0.32 -0.59 0.17 -0.47 -0.69 0.00 0.00 174.62 173.36 2rmm s TYR 45 N -2.03 -0.19 -0.35 4.92 5.04 -1.26 -0.91 117.35 122.57 2rmm s TYR 45 Ca -0.09 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2rmm s TYR 45 Cb -0.06 0.03 0.10 0.00 0.35 0.00 0.00 41.96 42.38 2rmm s TYR 45 CO -0.03 -0.12 0.07 -0.51 -1.34 0.00 0.00 175.55 173.63 2rmm s ASP 46 N 0.41 4.87 0.25 4.32 1.01 -0.06 -5.01 116.67 122.46 2rmm s ASP 46 Ca -0.03 -2.02 -0.04 0.00 0.71 0.00 0.00 52.55 51.18 2rmm s ASP 46 Cb -0.04 -1.68 0.39 0.00 1.01 0.00 0.00 42.92 42.60 2rmm s ASP 46 CO -0.02 -0.40 1.86 -0.78 0.21 0.00 0.00 175.17 176.04 2rmm h ASP 47 N 7.75 0.90 0.00 0.27 1.82 -1.96 -2.48 116.42 122.72 2rmm h ASP 47 Ca -0.08 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2rmm h ASP 47 Cb 1.03 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2rmm h ASP 47 CO 0.56 0.56 0.10 0.00 -1.61 0.00 0.00 179.24 178.84 2rmm h ALA 48 N 1.44 1.09 0.00 -0.78 0.00 -1.96 -1.58 119.26 117.47 2rmm h ALA 48 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2rmm h ALA 48 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2rmm h ALA 48 CO -0.19 -0.09 -0.06 -2.37 0.00 0.00 0.00 179.25 176.54 2rmm n THR 49 N -2.89 0.71 -4.22 0.00 5.66 -1.14 -5.03 114.28 107.36 2rmm n THR 49 Ca -0.02 -0.77 -0.36 0.00 -3.05 0.00 0.00 64.05 59.85 2rmm n THR 49 Cb 0.15 0.54 -0.03 0.00 -1.55 0.00 0.00 70.33 69.45 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 -0.43 -3.06 -4.86 1.09 4.01 -0.60 -4.85 118.16 109.47 2rmm n LYS 50 Ca 0.03 0.36 -0.26 0.00 -0.51 0.00 0.00 58.31 57.92 2rmm n LYS 50 Cb 0.45 -5.04 -0.16 0.00 -0.51 0.00 0.00 35.03 29.77 2rmm n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2rmm s THR 51 N -3.34 1.47 -0.01 -0.18 2.01 -0.97 -1.10 115.64 113.53 2rmm s THR 51 Ca 0.70 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2rmm s THR 51 Cb -0.38 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2rmm s THR 51 CO 0.93 0.42 0.14 -0.36 -0.69 0.00 0.00 174.62 175.06 2rmm s PHE 52 N 0.08 3.44 0.05 4.92 0.08 0.73 -0.88 117.98 126.39 2rmm s PHE 52 Ca -0.05 0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.35 2rmm s PHE 52 Cb -0.12 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2rmm s PHE 52 CO 0.03 0.61 -0.16 0.99 -0.10 0.00 0.00 175.22 176.59 2rmm s THR 53 N -1.28 1.23 -0.07 0.64 2.01 -0.09 -0.75 115.64 117.34 2rmm s THR 53 Ca 0.26 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2rmm s THR 53 Cb -0.12 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.29 2rmm s THR 53 CO 0.17 0.01 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 2rmm s VAL 54 N -0.90 0.67 -0.01 3.82 1.01 0.35 -1.23 120.40 124.11 2rmm s VAL 54 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2rmm s VAL 54 Cb -0.08 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 2rmm s VAL 54 CO 0.02 0.28 -0.06 -0.89 0.00 0.00 0.00 175.10 174.44 2rmm s THR 55 N 1.38 0.51 -2.00 3.92 2.01 -1.15 -0.39 115.64 119.91 2rmm s THR 55 Ca -0.03 -0.27 0.20 0.00 0.31 0.00 0.00 61.69 61.89 2rmm s THR 55 Cb -0.13 -0.43 0.57 0.00 0.01 0.00 0.00 72.50 72.51 2rmm s THR 55 CO -0.03 0.15 1.58 -0.62 -0.69 0.00 0.00 174.62 175.01