#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 0.21 2.12 2.00 -1.26 -1.56 119.66 125.62 2rmm s GLN 2 Ca 0.00 1.85 0.09 0.00 -2.00 0.00 0.00 55.36 55.29 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 0.46 1.85 0.10 1.67 2.02 0.17 -4.90 117.35 118.72 2rmm s TYR 3 Ca 0.56 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 2rmm s TYR 3 Cb -0.32 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.35 2rmm s TYR 3 CO 0.33 0.42 -0.11 0.21 -1.57 0.00 0.00 175.55 174.83 2rmm s LYS 4 N -3.39 0.88 -0.05 -0.62 2.20 -0.62 -1.36 119.74 116.79 2rmm s LYS 4 Ca 0.22 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.66 2rmm s LYS 4 Cb -0.03 -0.61 0.02 0.00 -1.51 0.00 0.00 37.83 35.71 2rmm s LYS 4 CO 0.08 0.10 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.95 2rmm s LEU 5 N -2.46 1.33 -0.27 5.43 1.98 0.49 -0.30 118.68 124.88 2rmm s LEU 5 Ca 0.06 -0.14 -0.06 0.00 -2.89 0.00 0.00 54.13 51.11 2rmm s LEU 5 Cb -0.03 -0.47 0.00 0.00 0.66 0.00 0.00 46.19 46.35 2rmm s LEU 5 CO 0.01 -0.05 0.04 -0.63 -1.89 0.00 0.00 176.35 173.83 2rmm s ILE 6 N 0.93 3.82 -0.30 6.68 1.01 0.18 -1.10 121.20 132.42 2rmm s ILE 6 Ca -0.11 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 2rmm s ILE 6 Cb -0.14 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2rmm s ILE 6 CO 0.00 0.20 0.29 -0.22 0.00 0.00 0.00 174.94 175.21 2rmm s LEU 7 N 1.50 4.21 -0.06 2.97 2.96 0.14 -0.63 118.68 129.77 2rmm s LEU 7 Ca 0.04 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2rmm s LEU 7 Cb -0.16 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 2rmm s LEU 7 CO 0.01 -0.19 -0.25 0.20 -1.32 0.00 0.00 176.35 174.80 2rmm s ASN 8 N 1.72 3.04 -0.07 3.68 0.01 0.25 -1.32 114.94 122.24 2rmm s ASN 8 Ca 0.10 -0.51 -0.31 0.00 -0.71 0.00 0.00 52.86 51.44 2rmm s ASN 8 Cb -0.16 -0.84 0.11 0.00 0.41 0.00 0.00 41.25 40.77 2rmm s ASN 8 CO 0.11 0.24 1.36 -0.83 -1.51 0.00 0.00 177.10 176.47 2rmm s GLY 9 N -0.15 -0.25 0.01 0.66 0.00 -1.20 -3.42 107.32 102.96 2rmm s GLY 9 Ca -0.04 0.30 0.25 0.00 0.00 0.00 0.00 44.72 45.23 2rmm s GLY 9 CO 0.04 5.06 1.44 0.28 0.00 0.00 0.00 173.10 179.92 2rmm n LYS 10 N -0.85 0.03 0.00 2.90 5.02 -1.26 -4.43 118.16 119.57 2rmm n LYS 10 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2rmm n LYS 10 Cb 0.60 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2rmm n LYS 10 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2rmm n THR 11 N -1.55 0.00 -3.73 -0.18 -1.04 -1.26 -5.07 114.28 101.45 2rmm n THR 11 Ca 0.05 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 2rmm n THR 11 Cb 0.34 -0.20 -0.10 0.00 -1.82 0.00 0.00 70.33 68.56 2rmm n THR 11 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rmm s LEU 12 N -2.14 0.41 0.04 -4.42 2.96 -1.26 -5.14 118.68 109.13 2rmm s LEU 12 Ca 0.00 0.75 0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2rmm s LEU 12 Cb 0.00 1.46 -0.02 0.00 0.50 0.00 0.00 46.19 48.13 2rmm s LEU 12 CO 0.00 -0.20 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.20 2rmm s LYS 13 N -0.02 0.59 0.00 1.98 1.02 -1.26 -3.26 119.74 118.78 2rmm s LYS 13 Ca -0.02 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2rmm s LYS 13 Cb -0.03 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2rmm s LYS 13 CO 0.01 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 2rmm n GLY 14 N 1.58 -1.34 2.92 -3.33 0.00 -0.44 -4.99 105.19 99.61 2rmm n GLY 14 Ca -0.21 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.99 0.09 0.13 1.61 2.02 -1.26 -0.68 118.70 119.62 2rmm s GLU 15 Ca 0.00 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.48 2rmm s GLU 15 Cb 0.00 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.00 2rmm s GLU 15 CO 0.00 -0.21 -0.06 0.95 0.02 0.00 0.00 175.26 175.96 2rmm s THR 16 N 1.56 0.82 -0.07 3.63 -4.23 -0.26 -5.01 115.64 112.09 2rmm s THR 16 Ca -0.05 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.40 2rmm s THR 16 Cb -0.12 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 71.92 2rmm s THR 16 CO -0.06 -0.76 0.22 -0.89 -0.54 0.00 0.00 174.62 172.59 2rmm s THR 17 N -3.55 0.01 0.13 3.99 2.01 -1.26 -0.38 115.64 116.59 2rmm s THR 17 Ca 0.16 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 2rmm s THR 17 Cb 0.05 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2rmm s THR 17 CO -0.01 -0.04 0.10 0.28 -0.69 0.00 0.00 174.62 174.25 2rmm s THR 18 N -0.07 0.11 -0.20 -0.82 -1.32 -0.46 -5.01 115.64 107.87 2rmm s THR 18 Ca -0.02 -1.75 0.01 0.00 -1.21 0.00 0.00 61.69 58.72 2rmm s THR 18 Cb -0.02 -1.91 0.03 0.00 -1.51 0.00 0.00 72.50 69.09 2rmm s THR 18 CO 0.01 -0.50 -0.18 -0.70 -2.21 0.00 0.00 174.62 171.04 2rmm s GLU 19 N -4.01 2.81 0.10 7.08 -6.30 -1.26 -0.66 118.70 116.46 2rmm s GLU 19 Ca 0.20 -0.93 0.01 0.00 -2.50 0.00 0.00 54.97 51.75 2rmm s GLU 19 Cb 0.07 -2.62 -0.04 0.00 0.00 0.00 0.00 34.13 31.53 2rmm s GLU 19 CO -0.01 -0.29 -0.05 0.00 0.02 0.00 0.00 175.26 174.93 2rmm s ALA 20 N 1.26 0.94 0.23 6.30 0.00 -0.60 -4.90 121.76 124.98 2rmm s ALA 20 Ca 0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2rmm s ALA 20 Cb -0.14 0.21 0.23 0.00 0.00 0.00 0.00 23.12 23.41 2rmm s ALA 20 CO -0.11 -0.26 1.76 -0.24 0.00 0.00 0.00 175.76 176.90 2rmm h VAL 21 N 2.97 1.25 -3.60 0.00 3.04 -1.95 -0.25 116.25 117.72 2rmm h VAL 21 Ca -0.35 -0.93 -0.06 0.00 -1.01 0.00 0.00 66.70 64.35 2rmm h VAL 21 Cb 1.16 0.59 -0.08 0.00 -2.01 0.00 0.00 31.29 30.96 2rmm h VAL 21 CO 0.65 0.35 -0.07 1.51 -1.01 0.00 0.00 177.57 179.00 2rmm s ASP 22 N -6.51 0.00 0.50 3.17 1.47 -1.26 -4.57 116.67 109.48 2rmm s ASP 22 Ca -0.11 -0.97 0.21 0.00 1.18 0.00 0.00 52.55 52.86 2rmm s ASP 22 Cb 0.15 0.62 1.28 0.00 -0.34 0.00 0.00 42.92 44.63 2rmm s ASP 22 CO 0.83 -1.21 2.01 0.00 0.68 0.00 0.00 175.17 177.48 2rmm h ALA 23 N 2.20 2.31 -0.04 2.11 0.00 -1.97 -1.21 119.26 122.66 2rmm h ALA 23 Ca -0.26 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 2rmm h ALA 23 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2rmm h ALA 23 CO 0.35 -0.44 -0.88 0.00 0.00 0.00 0.00 179.25 178.28 2rmm h ALA 24 N 1.76 0.37 -0.26 0.00 0.00 -1.97 0.72 119.26 119.88 2rmm h ALA 24 Ca 0.23 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2rmm h ALA 24 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2rmm h ALA 24 CO -0.03 0.76 -0.05 1.15 0.00 0.00 0.00 179.25 181.09 2rmm h THR 25 N 0.32 1.28 -0.84 0.00 2.02 -1.78 0.35 112.91 114.26 2rmm h THR 25 Ca -0.07 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.05 2rmm h THR 25 Cb 1.51 1.43 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 2rmm h THR 25 CO 0.16 0.32 0.44 0.00 0.37 0.00 0.00 175.52 176.81 2rmm h ALA 26 N 0.78 1.20 -0.91 6.16 0.00 -1.24 -0.00 119.26 125.24 2rmm h ALA 26 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2rmm h ALA 26 Cb 0.50 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2rmm h ALA 26 CO 0.02 0.63 0.51 1.49 0.00 0.00 0.00 179.25 181.91 2rmm h GLU 27 N 1.18 1.27 -0.30 0.00 4.81 -0.80 0.16 114.58 120.89 2rmm h GLU 27 Ca 0.29 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 2rmm h GLU 27 Cb 0.05 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2rmm h GLU 27 CO -0.04 0.91 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.88 2rmm h LYS 28 N 1.27 0.57 -0.22 1.92 3.64 -0.22 0.28 116.57 123.81 2rmm h LYS 28 Ca 0.32 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2rmm h LYS 28 Cb 0.00 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2rmm h LYS 28 CO -0.05 0.75 0.14 0.28 -2.27 0.00 0.00 179.45 178.29 2rmm h VAL 29 N 0.35 1.09 -0.84 2.00 2.07 -0.87 -0.79 116.25 119.26 2rmm h VAL 29 Ca 0.08 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2rmm h VAL 29 Cb 0.52 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2rmm h VAL 29 CO 0.03 0.08 0.53 -0.26 0.02 0.00 0.00 177.57 177.97 2rmm h PHE 30 N 0.28 1.08 -0.29 1.57 0.04 -0.95 -1.97 116.94 116.70 2rmm h PHE 30 Ca 0.08 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2rmm h PHE 30 Cb 0.02 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 2rmm h PHE 30 CO -0.05 0.70 -0.06 0.87 -0.60 0.00 0.00 178.31 179.17 2rmm h LYS 31 N 1.14 0.46 -0.49 1.51 1.57 -0.78 0.20 116.57 120.19 2rmm h LYS 31 Ca 0.30 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2rmm h LYS 31 Cb -0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2rmm h LYS 31 CO -0.06 0.54 0.22 1.96 -0.57 0.00 0.00 179.45 181.54 2rmm h GLN 32 N 0.44 0.69 0.00 3.15 4.20 -0.38 0.54 115.11 123.74 2rmm h GLN 32 Ca 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 2rmm h GLN 32 Cb 0.38 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2rmm h GLN 32 CO 0.02 0.55 -0.46 1.88 -0.67 0.00 0.00 178.83 180.14 2rmm h TYR 33 N 0.69 0.00 0.00 2.96 -1.99 -1.14 -3.42 116.97 114.07 2rmm h TYR 33 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2rmm h TYR 33 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 2rmm h TYR 33 CO 0.01 0.16 -0.42 1.19 -0.00 0.00 0.00 178.16 179.09 2rmm n PHE 34 N -3.01 0.00 0.08 4.88 3.72 0.03 -4.80 117.46 118.37 2rmm n PHE 34 Ca 0.01 -0.12 -0.12 0.00 -0.05 0.00 0.00 57.45 57.17 2rmm n PHE 34 Cb 0.60 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 2rmm n PHE 34 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2rmm h ASN 35 N 0.00 0.38 0.00 4.37 7.08 -1.12 -3.40 115.58 122.89 2rmm h ASN 35 Ca 0.00 -0.35 0.00 0.00 -3.08 0.00 0.00 56.30 52.87 2rmm h ASN 35 Cb 1.33 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2rmm h ASN 35 CO 0.00 1.19 0.00 -0.67 -2.08 0.00 0.00 177.43 175.87 2rmm n ASP 36 N -3.62 0.00 0.14 6.14 2.03 -1.26 -4.37 116.55 115.60 2rmm n ASP 36 Ca -0.06 -0.92 0.03 0.00 0.52 0.00 0.00 54.79 54.36 2rmm n ASP 36 Cb 0.90 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.70 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 0.18 0.00 1.67 2.35 -1.87 -3.45 115.58 114.46 2rmm h ASN 37 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2rmm h ASN 37 Cb 0.70 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2rmm h ASN 37 CO 0.00 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 2rmm n GLY 38 N -0.87 0.09 0.11 2.83 0.00 -1.26 -5.04 105.19 101.05 2rmm n GLY 38 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2rmm n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2rmm h VAL 39 N 0.00 1.26 -6.72 1.61 3.04 -1.87 -3.47 116.25 110.09 2rmm h VAL 39 Ca 0.00 -0.85 -0.55 0.00 -1.01 0.00 0.00 66.70 64.29 2rmm h VAL 39 Cb 0.00 1.53 -0.29 0.00 -2.01 0.00 0.00 31.29 30.53 2rmm h VAL 39 CO 0.00 0.25 -0.81 -0.67 -1.01 0.00 0.00 177.57 175.33 2rmm n ASP 40 N -4.75 -0.75 -4.65 3.17 2.03 -1.26 -4.77 116.55 105.56 2rmm n ASP 40 Ca -0.05 -1.10 -0.24 0.00 0.52 0.00 0.00 54.79 53.92 2rmm n ASP 40 Cb 0.22 -1.39 0.11 0.00 -0.72 0.00 0.00 41.12 39.33 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 -3.40 1.76 -0.26 0.27 0.00 -1.26 -4.98 107.32 99.45 2rmm s GLY 41 Ca 0.48 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.28 2rmm s GLY 41 CO 0.89 -1.06 1.15 1.85 0.00 0.00 0.00 173.10 175.93 2rmm s GLU 42 N -5.19 4.12 0.30 2.90 2.56 0.19 -4.81 118.70 118.76 2rmm s GLU 42 Ca 0.66 1.30 -0.26 0.00 0.00 0.00 0.00 54.97 56.67 2rmm s GLU 42 Cb -0.06 -3.75 -0.10 0.00 2.00 0.00 0.00 34.13 32.23 2rmm s GLU 42 CO 0.45 -0.84 0.93 -1.58 -0.56 0.00 0.00 175.26 173.66 2rmm s TRP 43 N 3.66 3.74 0.04 5.30 0.52 -1.26 -2.66 118.94 128.28 2rmm s TRP 43 Ca 0.49 1.79 0.00 0.00 0.02 0.00 0.00 56.10 58.40 2rmm s TRP 43 Cb -0.16 -2.92 -0.03 0.00 -1.15 0.00 0.00 33.47 29.21 2rmm s TRP 43 CO 0.15 0.26 -0.04 0.99 0.02 0.00 0.00 176.95 178.32 2rmm s THR 44 N -1.54 0.26 -0.06 2.01 2.01 -0.23 -5.01 115.64 113.09 2rmm s THR 44 Ca 0.48 -1.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 2rmm s THR 44 Cb -0.20 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2rmm s THR 44 CO 0.25 -0.67 0.15 -0.47 -0.69 0.00 0.00 174.62 173.19 2rmm s TYR 45 N -2.40 -0.16 -0.32 4.92 5.04 -1.26 -1.04 117.35 122.12 2rmm s TYR 45 Ca -0.06 0.41 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 2rmm s TYR 45 Cb -0.03 0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.39 2rmm s TYR 45 CO -0.04 -0.10 0.03 -0.51 -1.34 0.00 0.00 175.55 173.59 2rmm s ASP 46 N 0.31 4.79 0.41 4.32 1.01 -0.05 -5.01 116.67 122.46 2rmm s ASP 46 Ca -0.02 -1.79 0.19 0.00 0.71 0.00 0.00 52.55 51.64 2rmm s ASP 46 Cb -0.03 -1.66 0.88 0.00 1.01 0.00 0.00 42.92 43.12 2rmm s ASP 46 CO -0.01 -0.34 1.84 -0.78 0.21 0.00 0.00 175.17 176.09 2rmm h ASP 47 N 7.79 0.00 -0.41 0.27 3.58 -1.96 -2.34 116.42 123.35 2rmm h ASP 47 Ca -0.12 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.45 2rmm h ASP 47 Cb 1.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2rmm h ASP 47 CO 0.54 0.31 0.36 0.00 -2.88 0.00 0.00 179.24 177.57 2rmm h ALA 48 N 1.69 2.21 0.00 -0.78 0.00 -1.96 -3.09 119.26 117.34 2rmm h ALA 48 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rmm h ALA 48 Cb 0.70 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2rmm h ALA 48 CO 0.04 -0.58 0.00 0.25 0.00 0.00 0.00 179.25 178.96 2rmm n THR 49 N -4.02 0.52 -4.32 0.00 -2.24 -1.05 -5.02 114.28 98.15 2rmm n THR 49 Ca 0.07 -0.54 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 2rmm n THR 49 Cb 0.55 0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.26 -0.79 -4.73 -0.78 4.76 -0.95 -4.87 118.16 110.54 2rmm n LYS 50 Ca 0.00 0.12 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 2rmm n LYS 50 Cb 0.34 -4.11 -0.16 0.00 -1.84 0.00 0.00 35.03 29.26 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 -3.48 1.28 0.00 -0.18 2.01 -0.92 -1.59 115.64 112.76 2rmm s THR 51 Ca 0.55 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.92 2rmm s THR 51 Cb -0.32 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 2rmm s THR 51 CO 0.96 0.38 0.10 -0.36 -0.69 0.00 0.00 174.62 175.00 2rmm s PHE 52 N 0.15 3.33 0.05 4.92 0.40 0.59 -0.87 117.98 126.53 2rmm s PHE 52 Ca -0.05 0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 2rmm s PHE 52 Cb -0.12 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2rmm s PHE 52 CO 0.02 0.57 -0.19 0.99 0.70 0.00 0.00 175.22 177.31 2rmm s THR 53 N -1.23 1.50 -0.07 0.64 2.01 -0.21 -0.64 115.64 117.64 2rmm s THR 53 Ca 0.24 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2rmm s THR 53 Cb -0.12 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2rmm s THR 53 CO 0.15 0.13 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.47 2rmm s VAL 54 N -0.84 0.69 -0.01 3.82 1.01 0.20 -1.07 120.40 124.20 2rmm s VAL 54 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2rmm s VAL 54 Cb -0.09 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 2rmm s VAL 54 CO 0.02 0.28 -0.07 -0.89 0.00 0.00 0.00 175.10 174.44 2rmm s THR 55 N 1.26 0.52 -2.40 3.92 2.01 -1.09 -0.59 115.64 119.28 2rmm s THR 55 Ca -0.05 -0.28 0.29 0.00 0.31 0.00 0.00 61.69 61.96 2rmm s THR 55 Cb -0.14 -0.44 0.63 0.00 0.01 0.00 0.00 72.50 72.56 2rmm s THR 55 CO -0.02 0.15 1.85 -0.62 -0.69 0.00 0.00 174.62 175.28