#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 4.49 0.21 0.03 0.74 -1.26 -1.46 119.66 122.42 2rmm s GLN 2 Ca 0.00 1.08 0.09 0.00 0.05 0.00 0.00 55.36 56.58 2rmm s GLN 2 Cb 0.00 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 2rmm s GLN 2 CO 0.00 0.13 -0.17 0.71 -0.55 0.00 0.00 175.29 175.41 2rmm s TYR 3 N 0.50 1.86 0.10 1.67 1.51 0.12 -4.90 117.35 118.20 2rmm s TYR 3 Ca 0.41 -0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 2rmm s TYR 3 Cb -0.20 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2rmm s TYR 3 CO 0.22 0.43 -0.12 0.21 -1.11 0.00 0.00 175.55 175.18 2rmm s LYS 4 N -3.41 0.90 -0.05 -0.62 2.20 -0.80 -1.67 119.74 116.28 2rmm s LYS 4 Ca 0.22 -1.13 0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2rmm s LYS 4 Cb -0.03 -0.74 0.02 0.00 -1.51 0.00 0.00 37.83 35.57 2rmm s LYS 4 CO 0.08 0.14 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.95 2rmm s LEU 5 N -2.26 1.54 -0.17 5.43 1.98 0.10 -0.39 118.68 124.91 2rmm s LEU 5 Ca 0.05 -0.22 -0.03 0.00 -2.89 0.00 0.00 54.13 51.04 2rmm s LEU 5 Cb -0.06 -0.66 -0.02 0.00 0.66 0.00 0.00 46.19 46.12 2rmm s LEU 5 CO 0.02 0.00 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.78 2rmm s ILE 6 N 0.71 3.46 -0.22 6.68 1.01 -0.27 -1.05 121.20 131.52 2rmm s ILE 6 Ca -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 2rmm s ILE 6 Cb -0.15 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2rmm s ILE 6 CO 0.02 0.48 -0.07 -0.22 0.00 0.00 0.00 174.94 175.16 2rmm s LEU 7 N 0.69 2.81 -0.13 2.97 2.96 0.16 -0.41 118.68 127.73 2rmm s LEU 7 Ca -0.04 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2rmm s LEU 7 Cb -0.15 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2rmm s LEU 7 CO 0.02 -0.03 -0.22 0.20 -1.32 0.00 0.00 176.35 175.00 2rmm s ASN 8 N 1.43 3.13 0.16 3.68 0.01 0.06 -1.53 114.94 121.89 2rmm s ASN 8 Ca 0.05 -0.59 -0.24 0.00 -0.71 0.00 0.00 52.86 51.37 2rmm s ASN 8 Cb -0.14 -1.44 0.07 0.00 0.41 0.00 0.00 41.25 40.15 2rmm s ASN 8 CO -0.05 0.09 1.03 -0.83 -1.51 0.00 0.00 177.10 175.83 2rmm s GLY 9 N 0.73 -0.07 -0.14 0.66 0.00 -1.20 -1.77 107.32 105.54 2rmm s GLY 9 Ca -0.09 -0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.68 2rmm s GLY 9 CO 0.00 1.25 0.29 0.28 0.00 0.00 0.00 173.10 174.92 2rmm n LYS 10 N -0.59 0.67 -0.03 2.90 5.02 -1.26 -4.35 118.16 120.52 2rmm n LYS 10 Ca -0.05 0.15 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 2rmm n LYS 10 Cb 0.60 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2rmm n LYS 10 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2rmm h THR 11 N 0.01 1.63 -3.34 -0.18 1.35 -2.00 -3.48 112.91 106.89 2rmm h THR 11 Ca -0.44 -2.17 -0.15 0.00 -0.55 0.00 0.00 66.41 63.10 2rmm h THR 11 Cb 2.10 3.06 -0.22 0.00 -1.73 0.00 0.00 68.15 71.35 2rmm h THR 11 CO 0.04 0.58 -0.45 -0.22 -0.25 0.00 0.00 175.52 175.23 2rmm s LEU 12 N -8.32 1.32 0.13 3.87 0.20 -1.26 -5.18 118.68 109.44 2rmm s LEU 12 Ca -0.17 0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.75 2rmm s LEU 12 Cb -0.01 0.78 -0.04 0.00 -0.43 0.00 0.00 46.19 46.50 2rmm s LEU 12 CO 0.74 -0.28 -0.10 -0.54 -0.29 0.00 0.00 176.35 175.87 2rmm s LYS 13 N -0.87 1.01 0.00 1.98 1.02 -1.26 -3.22 119.74 118.39 2rmm s LYS 13 Ca -0.10 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2rmm s LYS 13 Cb -0.05 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.67 2rmm s LYS 13 CO 0.02 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2rmm n GLY 14 N -0.03 -1.39 3.14 -3.33 0.00 -0.58 -5.00 105.19 98.00 2rmm n GLY 14 Ca -0.12 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.15 0.29 0.12 1.61 2.02 -1.26 -0.66 118.70 119.67 2rmm s GLU 15 Ca 0.00 0.54 0.02 0.00 0.02 0.00 0.00 54.97 55.55 2rmm s GLU 15 Cb 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.18 2rmm s GLU 15 CO 0.00 -0.12 -0.05 0.95 0.02 0.00 0.00 175.26 176.05 2rmm s THR 16 N 0.94 0.71 -0.07 3.63 -4.23 -0.22 -5.01 115.64 111.39 2rmm s THR 16 Ca -0.06 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 2rmm s THR 16 Cb -0.07 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 71.99 2rmm s THR 16 CO -0.07 -0.77 0.23 -0.89 -0.54 0.00 0.00 174.62 172.58 2rmm s THR 17 N -3.62 0.01 0.12 3.99 2.01 -1.26 -0.73 115.64 116.16 2rmm s THR 17 Ca 0.15 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2rmm s THR 17 Cb 0.05 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 2rmm s THR 17 CO -0.02 -0.06 0.18 0.28 -0.69 0.00 0.00 174.62 174.31 2rmm s THR 18 N -0.15 0.12 -0.17 -0.82 -1.32 -0.67 -5.02 115.64 107.60 2rmm s THR 18 Ca -0.03 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2rmm s THR 18 Cb -0.03 -1.61 0.01 0.00 -1.51 0.00 0.00 72.50 69.36 2rmm s THR 18 CO 0.01 -0.54 -0.17 -0.70 -2.21 0.00 0.00 174.62 171.01 2rmm s GLU 19 N -3.93 3.12 0.19 7.08 2.12 -1.26 -0.70 118.70 125.31 2rmm s GLU 19 Ca 0.12 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.67 2rmm s GLU 19 Cb 0.05 -2.62 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 2rmm s GLU 19 CO -0.06 -0.10 0.04 0.00 -0.54 0.00 0.00 175.26 174.60 2rmm s ALA 20 N 1.09 1.34 0.27 6.30 0.00 -0.53 -4.94 121.76 125.28 2rmm s ALA 20 Ca -0.00 -1.64 0.04 0.00 0.00 0.00 0.00 51.96 50.36 2rmm s ALA 20 Cb -0.14 0.78 0.38 0.00 0.00 0.00 0.00 23.12 24.13 2rmm s ALA 20 CO -0.06 -0.40 1.67 -0.24 0.00 0.00 0.00 175.76 176.73 2rmm h VAL 21 N 2.65 1.31 -3.01 0.00 3.04 -1.95 -0.77 116.25 117.51 2rmm h VAL 21 Ca -0.37 -1.55 0.06 0.00 -1.01 0.00 0.00 66.70 63.84 2rmm h VAL 21 Cb 1.22 1.66 -0.05 0.00 -2.01 0.00 0.00 31.29 32.10 2rmm h VAL 21 CO 0.61 0.47 0.22 -0.62 -1.01 0.00 0.00 177.57 177.24 2rmm s ASP 22 N -6.87 -0.26 0.53 3.17 -1.08 -1.26 -4.61 116.67 106.29 2rmm s ASP 22 Ca -0.05 -0.60 0.27 0.00 -0.52 0.00 0.00 52.55 51.64 2rmm s ASP 22 Cb 0.13 0.72 1.42 0.00 -1.46 0.00 0.00 42.92 43.73 2rmm s ASP 22 CO 0.79 -1.34 1.97 0.00 0.52 0.00 0.00 175.17 177.11 2rmm h ALA 23 N 2.01 2.58 -0.05 3.66 0.00 -1.95 -1.20 119.26 124.30 2rmm h ALA 23 Ca -0.20 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 2rmm h ALA 23 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2rmm h ALA 23 CO 0.24 -0.75 -0.87 0.00 0.00 0.00 0.00 179.25 177.86 2rmm h ALA 24 N 1.69 0.38 -0.24 0.00 0.00 -1.97 0.27 119.26 119.40 2rmm h ALA 24 Ca 0.29 -0.66 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2rmm h ALA 24 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2rmm h ALA 24 CO -0.00 0.76 -0.48 1.15 0.00 0.00 0.00 179.25 180.68 2rmm h THR 25 N 0.32 1.30 -0.92 0.00 2.02 -1.66 0.24 112.91 114.22 2rmm h THR 25 Ca -0.07 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.44 2rmm h THR 25 Cb 1.49 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 2rmm h THR 25 CO 0.16 0.54 0.61 0.00 0.37 0.00 0.00 175.52 177.19 2rmm h ALA 26 N 0.63 1.16 -0.89 6.16 0.00 -1.31 0.24 119.26 125.26 2rmm h ALA 26 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rmm h ALA 26 Cb 1.08 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2rmm h ALA 26 CO 0.11 0.56 0.50 1.49 0.00 0.00 0.00 179.25 181.90 2rmm h GLU 27 N 1.24 1.23 -0.34 0.00 4.81 -0.92 -0.76 114.58 119.84 2rmm h GLU 27 Ca 0.34 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2rmm h GLU 27 Cb -0.14 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 28.98 2rmm h GLU 27 CO -0.07 0.89 0.08 -0.22 -0.73 0.00 0.00 179.01 178.95 2rmm h LYS 28 N 1.23 0.55 0.03 1.92 3.64 -0.01 0.09 116.57 124.02 2rmm h LYS 28 Ca 0.31 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2rmm h LYS 28 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2rmm h LYS 28 CO -0.05 0.61 -0.06 0.28 -2.27 0.00 0.00 179.45 177.95 2rmm h VAL 29 N 0.40 0.85 -0.82 2.00 2.07 -0.85 -0.82 116.25 119.08 2rmm h VAL 29 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2rmm h VAL 29 Cb 0.31 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2rmm h VAL 29 CO 0.00 0.00 0.53 -0.26 0.02 0.00 0.00 177.57 177.86 2rmm h PHE 30 N -0.12 0.99 0.00 1.57 0.04 -1.08 -1.83 116.94 116.51 2rmm h PHE 30 Ca 0.02 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 2rmm h PHE 30 Cb 0.13 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2rmm h PHE 30 CO -0.12 0.57 -0.31 0.87 -0.60 0.00 0.00 178.31 178.72 2rmm h LYS 31 N 1.03 0.00 -0.13 1.51 1.57 -0.82 -0.48 116.57 119.24 2rmm h LYS 31 Ca 0.33 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.04 2rmm h LYS 31 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2rmm h LYS 31 CO -0.11 0.31 -0.20 1.96 -0.57 0.00 0.00 179.45 180.84 2rmm h GLN 32 N 0.00 0.22 0.00 3.15 4.20 -0.28 -0.67 115.11 121.73 2rmm h GLN 32 Ca -0.00 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 2rmm h GLN 32 Cb 0.56 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2rmm h GLN 32 CO 0.04 0.43 -0.97 1.88 -0.67 0.00 0.00 178.83 179.54 2rmm h TYR 33 N 0.21 0.00 0.00 2.96 -1.99 -1.26 -3.42 116.97 113.47 2rmm h TYR 33 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2rmm h TYR 33 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.22 2rmm h TYR 33 CO 0.01 0.33 -0.05 1.19 -0.00 0.00 0.00 178.16 179.64 2rmm n PHE 34 N -2.91 0.00 -3.26 4.88 3.72 -0.22 -4.92 117.46 114.75 2rmm n PHE 34 Ca -0.03 -0.60 -0.38 0.00 -0.05 0.00 0.00 57.45 56.38 2rmm n PHE 34 Cb 0.70 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 2rmm n PHE 34 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2rmm s ASN 35 N -1.67 6.82 -0.12 4.37 0.01 -0.28 -4.73 114.94 119.34 2rmm s ASN 35 Ca 0.13 0.97 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 2rmm s ASN 35 Cb 0.11 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.45 2rmm s ASN 35 CO 0.01 0.04 0.00 -0.90 -1.51 0.00 0.00 177.10 174.74 2rmm n ASP 36 N 3.29 -1.33 -0.22 -1.22 5.68 -1.26 -4.80 116.55 116.69 2rmm n ASP 36 Ca -0.07 0.03 0.05 0.00 -0.50 0.00 0.00 54.79 54.30 2rmm n ASP 36 Cb 0.51 -1.25 0.30 0.00 -1.14 0.00 0.00 41.12 39.55 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2rmm h ASN 37 N 0.00 0.76 0.00 -1.12 7.08 -1.91 -3.46 115.58 116.93 2rmm h ASN 37 Ca -0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2rmm h ASN 37 Cb 0.25 -0.16 0.00 0.00 -2.08 0.00 0.00 38.32 36.32 2rmm h ASN 37 CO 0.03 0.50 0.00 0.61 -2.08 0.00 0.00 177.43 176.50 2rmm n GLY 38 N -1.43 0.33 0.28 9.14 0.00 -1.26 -5.04 105.19 107.21 2rmm n GLY 38 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 1.23 -6.59 1.61 3.04 -1.91 -3.46 116.25 110.16 2rmm h VAL 39 Ca 0.00 -0.70 -0.48 0.00 -1.01 0.00 0.00 66.70 64.51 2rmm h VAL 39 Cb 0.00 0.48 -0.30 0.00 -2.01 0.00 0.00 31.29 29.46 2rmm h VAL 39 CO 0.00 0.28 -0.70 -0.67 -1.01 0.00 0.00 177.57 175.47 2rmm n ASP 40 N -4.44 -1.59 -4.61 3.17 2.03 -1.26 -4.77 116.55 105.07 2rmm n ASP 40 Ca 0.05 -0.87 -0.27 0.00 0.52 0.00 0.00 54.79 54.22 2rmm n ASP 40 Cb 0.15 -1.42 0.12 0.00 -0.72 0.00 0.00 41.12 39.25 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 -2.91 1.73 0.04 0.27 0.00 -1.26 -5.00 107.32 100.19 2rmm s GLY 41 Ca 0.65 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 2rmm s GLY 41 CO 0.79 -0.61 0.94 1.85 0.00 0.00 0.00 173.10 176.06 2rmm s GLU 42 N -5.45 4.59 0.05 2.90 2.56 0.26 -4.85 118.70 118.76 2rmm s GLU 42 Ca 0.66 1.36 -0.08 0.00 0.00 0.00 0.00 54.97 56.91 2rmm s GLU 42 Cb -0.07 -3.42 -0.05 0.00 2.00 0.00 0.00 34.13 32.58 2rmm s GLU 42 CO 0.48 0.07 0.34 -1.58 -0.56 0.00 0.00 175.26 174.01 2rmm s TRP 43 N 0.56 3.58 0.04 5.30 0.52 -1.26 -1.64 118.94 126.04 2rmm s TRP 43 Ca 0.48 0.69 0.00 0.00 0.02 0.00 0.00 56.10 57.29 2rmm s TRP 43 Cb -0.22 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 2rmm s TRP 43 CO 0.28 0.56 -0.04 0.99 0.02 0.00 0.00 176.95 178.75 2rmm s THR 44 N -1.36 0.26 -0.06 2.01 2.01 -0.11 -5.00 115.64 113.39 2rmm s THR 44 Ca 0.31 -1.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2rmm s THR 44 Cb -0.14 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.65 2rmm s THR 44 CO 0.17 -0.63 0.16 -0.47 -0.69 0.00 0.00 174.62 173.16 2rmm s TYR 45 N -2.23 -0.18 -0.30 4.92 5.04 -1.26 -0.90 117.35 122.44 2rmm s TYR 45 Ca -0.07 0.44 0.01 0.00 -2.44 0.00 0.00 57.07 55.02 2rmm s TYR 45 Cb -0.04 0.04 0.07 0.00 0.35 0.00 0.00 41.96 42.38 2rmm s TYR 45 CO -0.03 -0.10 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.55 2rmm s ASP 46 N 0.25 4.71 0.38 4.32 1.01 -0.21 -5.01 116.67 122.12 2rmm s ASP 46 Ca -0.01 -1.60 0.17 0.00 0.71 0.00 0.00 52.55 51.81 2rmm s ASP 46 Cb -0.03 -1.64 0.77 0.00 1.01 0.00 0.00 42.92 43.04 2rmm s ASP 46 CO -0.01 -0.28 1.81 -0.78 0.21 0.00 0.00 175.17 176.11 2rmm h ASP 47 N 7.82 0.00 -0.14 0.27 3.58 -1.97 -2.39 116.42 123.59 2rmm h ASP 47 Ca -0.16 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.34 2rmm h ASP 47 Cb 1.04 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2rmm h ASP 47 CO 0.51 0.37 0.17 0.00 -2.88 0.00 0.00 179.24 177.41 2rmm h ALA 48 N 1.63 1.73 0.00 -0.78 0.00 -1.96 -3.11 119.26 116.77 2rmm h ALA 48 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rmm h ALA 48 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2rmm h ALA 48 CO 0.05 -0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.31 2rmm n THR 49 N -3.77 0.46 -3.42 0.00 -2.24 -1.07 -5.02 114.28 99.22 2rmm n THR 49 Ca 0.01 -0.51 -0.22 0.00 -2.27 0.00 0.00 64.05 61.05 2rmm n THR 49 Cb 0.28 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.23 -2.59 -4.87 -0.78 4.01 -0.94 -4.89 118.16 107.88 2rmm n LYS 50 Ca 0.00 0.28 -0.26 0.00 -0.51 0.00 0.00 58.31 57.82 2rmm n LYS 50 Cb 0.31 -4.90 -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 -2.78 1.48 0.02 -0.18 2.01 -0.99 -1.91 115.64 113.29 2rmm s THR 51 Ca 0.40 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2rmm s THR 51 Cb -0.22 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2rmm s THR 51 CO 0.49 0.43 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.47 2rmm s PHE 52 N -0.00 3.01 0.05 4.92 0.40 0.47 -1.04 117.98 125.79 2rmm s PHE 52 Ca -0.03 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.37 2rmm s PHE 52 Cb -0.11 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 2rmm s PHE 52 CO 0.02 0.45 -0.13 0.99 0.70 0.00 0.00 175.22 177.25 2rmm s THR 53 N -1.12 1.01 -0.07 0.64 2.01 -0.08 -1.12 115.64 116.91 2rmm s THR 53 Ca 0.21 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.15 2rmm s THR 53 Cb -0.11 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.46 2rmm s THR 53 CO 0.12 -0.11 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.13 2rmm s VAL 54 N -1.02 1.07 -0.04 3.82 1.01 0.45 -0.93 120.40 124.76 2rmm s VAL 54 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2rmm s VAL 54 Cb -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2rmm s VAL 54 CO 0.01 0.35 -0.04 -0.89 0.00 0.00 0.00 175.10 174.52 2rmm s THR 55 N 0.79 0.53 -2.00 3.92 2.01 -0.65 -0.76 115.64 119.47 2rmm s THR 55 Ca -0.12 -0.12 0.16 0.00 0.31 0.00 0.00 61.69 61.91 2rmm s THR 55 Cb -0.15 -0.55 0.44 0.00 0.01 0.00 0.00 72.50 72.25 2rmm s THR 55 CO 0.02 0.22 1.34 1.21 -0.69 0.00 0.00 174.62 176.73