#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 4.48 0.21 2.12 2.00 -1.26 -1.80 119.66 125.41 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 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.50 2rmm s GLN 2 CO 0.00 -0.12 -0.16 0.71 -0.50 0.00 0.00 175.29 175.22 2rmm s TYR 3 N 0.19 1.86 0.06 1.67 1.51 0.16 -4.90 117.35 117.91 2rmm s TYR 3 Ca 0.54 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 2rmm s TYR 3 Cb -0.32 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2rmm s TYR 3 CO 0.35 0.43 -0.08 0.21 -1.11 0.00 0.00 175.55 175.35 2rmm s LYS 4 N -3.46 0.65 -0.12 -0.62 2.20 -0.96 -1.42 119.74 116.01 2rmm s LYS 4 Ca 0.23 -0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 54.90 2rmm s LYS 4 Cb -0.03 -0.34 0.03 0.00 -1.51 0.00 0.00 37.83 35.98 2rmm s LYS 4 CO 0.09 0.05 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.92 2rmm s LEU 5 N -1.98 1.09 -0.23 5.43 1.98 0.22 -0.41 118.68 124.78 2rmm s LEU 5 Ca -0.03 -0.37 -0.16 0.00 -2.89 0.00 0.00 54.13 50.67 2rmm s LEU 5 Cb -0.06 -0.71 -0.04 0.00 0.66 0.00 0.00 46.19 46.05 2rmm s LEU 5 CO -0.01 -0.18 0.43 -0.63 -1.89 0.00 0.00 176.35 174.07 2rmm s ILE 6 N 1.79 5.16 -0.27 6.68 1.01 0.01 -0.95 121.20 134.63 2rmm s ILE 6 Ca 0.03 0.72 -0.09 0.00 0.00 0.00 0.00 60.65 61.32 2rmm s ILE 6 Cb -0.14 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2rmm s ILE 6 CO -0.07 0.18 0.13 -0.22 0.00 0.00 0.00 174.94 174.96 2rmm s LEU 7 N 1.78 3.77 0.05 2.97 2.96 -0.05 -0.82 118.68 129.34 2rmm s LEU 7 Ca 0.19 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2rmm s LEU 7 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2rmm s LEU 7 CO 0.09 -0.06 -0.23 0.20 -1.32 0.00 0.00 176.35 175.03 2rmm s ASN 8 N 1.68 3.47 0.00 3.68 0.01 0.32 -1.63 114.94 122.47 2rmm s ASN 8 Ca 0.06 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2rmm s ASN 8 Cb -0.16 -0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.08 2rmm s ASN 8 CO 0.07 0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 2rmm n GLY 9 N 1.56 -1.04 0.00 0.66 0.00 -1.15 -2.76 105.19 102.45 2rmm n GLY 9 Ca -0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2rmm n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2rmm n LYS 10 N 0.00 1.97 0.13 1.61 2.85 -1.26 -4.69 118.16 118.77 2rmm n LYS 10 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2rmm n LYS 10 Cb 0.00 -0.97 -0.15 0.00 -0.65 0.00 0.00 35.03 33.26 2rmm n LYS 10 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2rmm h THR 11 N 0.00 1.35 -2.89 0.58 2.02 -1.96 -3.48 112.91 108.54 2rmm h THR 11 Ca 0.00 -2.84 -0.10 0.00 0.77 0.00 0.00 66.41 64.24 2rmm h THR 11 Cb 0.45 3.00 -0.19 0.00 -1.74 0.00 0.00 68.15 69.66 2rmm h THR 11 CO 0.00 0.84 -0.17 -0.22 0.37 0.00 0.00 175.52 176.34 2rmm s LEU 12 N -7.41 0.55 0.07 2.58 2.96 -1.26 -5.18 118.68 110.99 2rmm s LEU 12 Ca -0.07 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2rmm s LEU 12 Cb 0.05 1.54 -0.04 0.00 0.50 0.00 0.00 46.19 48.25 2rmm s LEU 12 CO 0.92 -0.52 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.83 2rmm s LYS 13 N -1.56 0.69 0.00 1.98 1.02 -1.26 -2.95 119.74 117.67 2rmm s LYS 13 Ca -0.11 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.77 2rmm s LYS 13 Cb -0.03 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.09 2rmm s LYS 13 CO 0.04 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2rmm n GLY 14 N 0.53 -1.21 3.12 -3.33 0.00 -0.65 -4.99 105.19 98.66 2rmm n GLY 14 Ca -0.16 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.59 0.28 0.13 1.61 2.02 -1.26 -0.88 118.70 119.01 2rmm s GLU 15 Ca 0.00 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.36 2rmm s GLU 15 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 2rmm s GLU 15 CO 0.00 -0.04 -0.05 0.95 0.02 0.00 0.00 175.26 176.13 2rmm s THR 16 N 0.22 0.78 -0.08 3.63 -4.23 -0.13 -5.01 115.64 110.83 2rmm s THR 16 Ca -0.01 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.45 2rmm s THR 16 Cb -0.02 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.98 2rmm s THR 16 CO -0.00 -0.72 0.23 -0.89 -0.54 0.00 0.00 174.62 172.69 2rmm s THR 17 N -3.58 0.01 0.16 3.99 2.01 -1.26 -0.61 115.64 116.36 2rmm s THR 17 Ca 0.17 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 2rmm s THR 17 Cb 0.05 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2rmm s THR 17 CO -0.01 -0.05 0.18 0.28 -0.69 0.00 0.00 174.62 174.33 2rmm s THR 18 N -0.08 0.07 -0.14 -0.82 -1.32 -0.51 -5.01 115.64 107.83 2rmm s THR 18 Ca -0.02 -1.69 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2rmm s THR 18 Cb -0.02 -2.02 0.01 0.00 -1.51 0.00 0.00 72.50 68.96 2rmm s THR 18 CO 0.01 -0.32 -0.20 -0.70 -2.21 0.00 0.00 174.62 171.20 2rmm s GLU 19 N -4.03 2.80 0.18 7.08 2.12 -1.26 -0.66 118.70 124.93 2rmm s GLU 19 Ca 0.23 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2rmm s GLU 19 Cb 0.05 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 2rmm s GLU 19 CO 0.03 -0.08 0.04 0.00 -0.54 0.00 0.00 175.26 174.70 2rmm s ALA 20 N 0.99 1.30 0.10 6.30 0.00 -0.75 -4.93 121.76 124.78 2rmm s ALA 20 Ca -0.04 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 2rmm s ALA 20 Cb -0.15 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 2rmm s ALA 20 CO -0.05 -0.39 1.57 -0.24 0.00 0.00 0.00 175.76 176.65 2rmm h VAL 21 N 2.67 1.24 -3.68 0.00 3.04 -1.96 -1.04 116.25 116.52 2rmm h VAL 21 Ca -0.37 -0.85 -0.07 0.00 -1.01 0.00 0.00 66.70 64.41 2rmm h VAL 21 Cb 1.21 1.18 -0.09 0.00 -2.01 0.00 0.00 31.29 31.58 2rmm h VAL 21 CO 0.61 0.28 -0.13 -0.62 -1.01 0.00 0.00 177.57 176.70 2rmm s ASP 22 N -5.97 -0.06 0.61 3.17 -1.08 -1.26 -4.56 116.67 107.52 2rmm s ASP 22 Ca -0.13 -0.96 0.29 0.00 -0.52 0.00 0.00 52.55 51.22 2rmm s ASP 22 Cb 0.09 0.59 1.51 0.00 -1.46 0.00 0.00 42.92 43.64 2rmm s ASP 22 CO 0.76 -1.14 1.90 0.00 0.52 0.00 0.00 175.17 177.21 2rmm h ALA 23 N 2.26 1.94 0.03 3.66 0.00 -1.97 0.00 119.26 125.18 2rmm h ALA 23 Ca -0.26 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2rmm h ALA 23 Cb 1.25 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.08 2rmm h ALA 23 CO 0.36 -0.60 -0.90 0.00 0.00 0.00 0.00 179.25 178.11 2rmm h ALA 24 N 1.43 0.07 -0.17 0.00 0.00 -1.98 -1.09 119.26 117.52 2rmm h ALA 24 Ca 0.15 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2rmm h ALA 24 Cb 1.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2rmm h ALA 24 CO -0.00 0.54 -0.34 1.15 0.00 0.00 0.00 179.25 180.60 2rmm h THR 25 N 0.14 1.35 -0.71 0.00 2.02 -1.64 -1.23 112.91 112.84 2rmm h THR 25 Ca -0.12 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 2rmm h THR 25 Cb 1.59 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.90 2rmm h THR 25 CO 0.18 0.48 0.40 0.00 0.37 0.00 0.00 175.52 176.94 2rmm h ALA 26 N 0.57 1.37 -0.04 6.16 0.00 -1.13 0.60 119.26 126.79 2rmm h ALA 26 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2rmm h ALA 26 Cb 0.94 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rmm h ALA 26 CO 0.08 0.53 -0.67 1.05 0.00 0.00 0.00 179.25 180.23 2rmm h GLU 27 N 0.98 0.18 -0.30 0.00 4.11 -1.24 -1.29 114.58 117.02 2rmm h GLU 27 Ca 0.25 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 2rmm h GLU 27 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2rmm h GLU 27 CO -0.04 0.78 0.14 -0.22 0.07 0.00 0.00 179.01 179.74 2rmm h LYS 28 N 0.12 0.43 0.20 1.06 3.64 -0.31 -0.23 116.57 121.48 2rmm h LYS 28 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2rmm h LYS 28 Cb 1.20 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2rmm h LYS 28 CO 0.10 0.41 -0.12 0.28 -2.27 0.00 0.00 179.45 177.85 2rmm h VAL 29 N 0.35 0.76 -0.72 2.00 2.07 -0.86 -2.20 116.25 117.64 2rmm h VAL 29 Ca 0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 2rmm h VAL 29 Cb 0.12 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2rmm h VAL 29 CO -0.01 0.00 0.47 -0.26 0.02 0.00 0.00 177.57 177.79 2rmm h PHE 30 N -0.30 0.88 0.00 1.57 0.04 -1.20 -0.83 116.94 117.10 2rmm h PHE 30 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2rmm h PHE 30 Cb 0.25 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 2rmm h PHE 30 CO -0.08 0.54 -0.02 0.87 -0.60 0.00 0.00 178.31 179.02 2rmm h LYS 31 N 0.93 0.00 -0.21 1.51 1.57 -0.79 -0.36 116.57 119.22 2rmm h LYS 31 Ca 0.27 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2rmm h LYS 31 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2rmm h LYS 31 CO -0.07 0.02 -0.35 0.37 -0.57 0.00 0.00 179.45 178.85 2rmm h GLN 32 N 0.00 0.62 0.00 3.15 4.15 -0.52 -3.32 115.11 119.19 2rmm h GLN 32 Ca -0.00 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 2rmm h GLN 32 Cb 0.41 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2rmm h GLN 32 CO 0.00 0.99 -0.61 1.88 -1.93 0.00 0.00 178.83 179.17 2rmm h TYR 33 N 0.30 0.00 -3.33 3.99 -1.99 -1.42 -3.45 116.97 111.07 2rmm h TYR 33 Ca 0.02 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.21 2rmm h TYR 33 Cb 0.94 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.29 2rmm h TYR 33 CO 0.09 0.12 -0.78 -0.06 -0.00 0.00 0.00 178.16 177.53 2rmm s PHE 34 N -3.21 1.45 0.00 4.88 0.08 -0.16 -5.00 117.98 116.02 2rmm s PHE 34 Ca 0.03 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.10 2rmm s PHE 34 Cb 0.07 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.33 2rmm s PHE 34 CO 0.74 -0.60 0.00 0.27 -0.10 0.00 0.00 175.22 175.53 2rmm n ASN 35 N 4.94 0.00 0.00 1.36 0.23 -1.26 -4.19 115.26 116.34 2rmm n ASN 35 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 2rmm n ASN 35 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.00 0.00 -0.18 0.53 2.03 -1.26 -0.39 116.55 117.27 2rmm n ASP 36 Ca 0.00 0.31 0.09 0.00 0.52 0.00 0.00 54.79 55.71 2rmm n ASP 36 Cb 0.00 -0.31 0.39 0.00 -0.72 0.00 0.00 41.12 40.48 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2rmm h ASN 37 N 0.00 0.60 0.00 1.67 -1.07 -1.95 -3.43 115.58 111.40 2rmm h ASN 37 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2rmm h ASN 37 Cb 0.29 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 2rmm h ASN 37 CO 0.00 0.36 0.00 0.61 0.07 0.00 0.00 177.43 178.47 2rmm n GLY 38 N -1.46 0.35 2.24 9.14 0.00 -0.93 -5.05 105.19 109.48 2rmm n GLY 38 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 2rmm n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rmm n VAL 39 N 0.00 0.01 -0.67 1.61 0.24 0.47 -4.92 118.33 115.06 2rmm n VAL 39 Ca 0.00 -4.60 -0.06 0.00 -2.04 0.00 0.00 64.34 57.64 2rmm n VAL 39 Cb 0.03 -0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.80 2rmm n VAL 39 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2rmm n ASP 40 N 0.36 4.34 -0.35 -1.34 2.03 -1.16 -4.07 116.55 116.36 2rmm n ASP 40 Ca 0.25 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.31 2rmm n ASP 40 Cb 0.63 -1.08 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 2rmm n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rmm n GLY 41 N 2.23 4.10 3.78 0.27 0.00 -1.26 -5.03 105.19 109.28 2rmm n GLY 41 Ca 0.23 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 2rmm n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rmm s GLU 42 N 1.45 3.67 -0.03 1.61 2.56 -0.30 -4.92 118.70 122.75 2rmm s GLU 42 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 54.97 56.60 2rmm s GLU 42 Cb 0.00 -2.18 -0.02 0.00 2.00 0.00 0.00 34.13 33.93 2rmm s GLU 42 CO 0.00 -0.57 -0.24 -1.58 -0.56 0.00 0.00 175.26 172.30 2rmm s TRP 43 N -1.77 2.24 0.03 5.30 0.52 -1.26 -2.89 118.94 121.11 2rmm s TRP 43 Ca 0.67 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 56.28 2rmm s TRP 43 Cb -0.22 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 2rmm s TRP 43 CO 0.27 -0.10 -0.04 0.99 0.02 0.00 0.00 176.95 178.08 2rmm s THR 44 N -0.41 0.25 -0.05 2.01 2.01 -0.69 -5.01 115.64 113.74 2rmm s THR 44 Ca 0.05 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 2rmm s THR 44 Cb -0.11 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 71.90 2rmm s THR 44 CO 0.01 -0.53 0.13 -0.47 -0.69 0.00 0.00 174.62 173.06 2rmm s TYR 45 N -1.77 -0.15 -0.33 4.92 5.04 -1.26 -0.77 117.35 123.04 2rmm s TYR 45 Ca -0.11 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 2rmm s TYR 45 Cb -0.08 -0.00 0.08 0.00 0.35 0.00 0.00 41.96 42.32 2rmm s TYR 45 CO -0.02 -0.10 0.03 -0.51 -1.34 0.00 0.00 175.55 173.61 2rmm s ASP 46 N 0.46 4.80 0.35 4.32 1.01 -0.10 -5.01 116.67 122.49 2rmm s ASP 46 Ca -0.03 -1.82 0.10 0.00 0.71 0.00 0.00 52.55 51.50 2rmm s ASP 46 Cb -0.05 -1.66 0.63 0.00 1.01 0.00 0.00 42.92 42.86 2rmm s ASP 46 CO -0.02 -0.35 1.80 -0.78 0.21 0.00 0.00 175.17 176.03 2rmm h ASP 47 N 7.78 0.14 0.00 0.27 3.58 -1.96 -2.24 116.42 124.00 2rmm h ASP 47 Ca -0.12 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2rmm h ASP 47 Cb 1.04 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2rmm h ASP 47 CO 0.54 0.47 0.06 0.00 -2.88 0.00 0.00 179.24 177.44 2rmm h ALA 48 N 1.54 1.06 0.00 -0.78 0.00 -1.96 -2.23 119.26 116.88 2rmm h ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rmm h ALA 48 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2rmm h ALA 48 CO 0.05 -0.06 -0.06 -2.37 0.00 0.00 0.00 179.25 176.81 2rmm n THR 49 N -2.93 0.69 -4.40 0.00 5.66 -1.14 -5.04 114.28 107.12 2rmm n THR 49 Ca -0.03 -0.74 -0.37 0.00 -3.05 0.00 0.00 64.05 59.86 2rmm n THR 49 Cb 0.12 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.38 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 -0.42 -1.27 -4.72 1.09 4.76 -0.84 -4.87 118.16 111.88 2rmm n LYS 50 Ca 0.02 0.17 -0.24 0.00 -2.87 0.00 0.00 58.31 55.40 2rmm n LYS 50 Cb 0.44 -4.40 -0.15 0.00 -1.84 0.00 0.00 35.03 29.08 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 -3.66 1.24 0.02 -0.18 2.01 -0.89 -2.25 115.64 111.93 2rmm s THR 51 Ca 0.51 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.89 2rmm s THR 51 Cb -0.29 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2rmm s THR 51 CO 1.00 0.36 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.92 2rmm s PHE 52 N -0.17 3.05 0.02 4.92 0.40 0.45 -0.92 117.98 125.72 2rmm s PHE 52 Ca 0.02 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2rmm s PHE 52 Cb -0.08 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2rmm s PHE 52 CO 0.00 0.46 -0.19 0.99 0.70 0.00 0.00 175.22 177.18 2rmm s THR 53 N -1.14 1.53 -0.05 0.64 2.01 0.05 -0.81 115.64 117.88 2rmm s THR 53 Ca 0.21 -1.03 0.02 0.00 0.31 0.00 0.00 61.69 61.20 2rmm s THR 53 Cb -0.12 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.09 2rmm s THR 53 CO 0.12 0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.53 2rmm s VAL 54 N -0.67 0.87 -0.01 3.82 1.01 -0.00 -1.71 120.40 123.71 2rmm s VAL 54 Ca 0.07 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2rmm s VAL 54 Cb -0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2rmm s VAL 54 CO 0.01 0.29 -0.07 -0.89 0.00 0.00 0.00 175.10 174.44 2rmm s THR 55 N 0.55 0.54 -2.00 3.92 2.01 -1.14 -0.52 115.64 118.99 2rmm s THR 55 Ca -0.10 -0.28 0.12 0.00 0.31 0.00 0.00 61.69 61.75 2rmm s THR 55 Cb -0.13 -0.46 0.35 0.00 0.01 0.00 0.00 72.50 72.26 2rmm s THR 55 CO 0.02 0.16 1.16 -0.62 -0.69 0.00 0.00 174.62 174.65