#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 0.20 2.12 2.00 -1.26 -2.29 119.66 124.91 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 -0.17 0.71 -0.50 0.00 0.00 175.29 175.21 2rmm s TYR 3 N 0.19 1.84 0.06 1.67 1.51 0.25 -4.90 117.35 117.97 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 0.40 -0.08 0.21 -1.11 0.00 0.00 175.55 175.32 2rmm s LYS 4 N -3.32 0.64 -0.19 -0.62 2.20 -1.00 -1.09 119.74 116.36 2rmm s LYS 4 Ca 0.21 -0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2rmm s LYS 4 Cb -0.03 -0.32 0.05 0.00 -1.51 0.00 0.00 37.83 36.02 2rmm s LYS 4 CO 0.08 0.04 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.94 2rmm s LEU 5 N -2.00 1.54 -0.12 5.43 1.98 0.43 -0.42 118.68 125.52 2rmm s LEU 5 Ca -0.03 -0.81 -0.20 0.00 -2.89 0.00 0.00 54.13 50.20 2rmm s LEU 5 Cb -0.06 -0.78 -0.04 0.00 0.66 0.00 0.00 46.19 45.97 2rmm s LEU 5 CO -0.01 -0.25 0.58 -0.63 -1.89 0.00 0.00 176.35 174.15 2rmm s ILE 6 N 1.72 5.11 -0.21 6.68 1.01 -0.07 -1.04 121.20 134.40 2rmm s ILE 6 Ca -0.01 1.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.77 2rmm s ILE 6 Cb -0.17 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 2rmm s ILE 6 CO -0.07 0.26 -0.08 -0.22 0.00 0.00 0.00 174.94 174.83 2rmm s LEU 7 N 0.96 2.75 -0.08 2.97 2.96 0.13 -0.73 118.68 127.63 2rmm s LEU 7 Ca 0.30 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2rmm s LEU 7 Cb -0.16 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2rmm s LEU 7 CO 0.13 -0.02 -0.17 0.20 -1.32 0.00 0.00 176.35 175.17 2rmm s ASN 8 N 1.43 3.78 0.04 3.68 0.01 0.50 -1.75 114.94 122.63 2rmm s ASN 8 Ca 0.05 -0.33 -0.27 0.00 -0.71 0.00 0.00 52.86 51.60 2rmm s ASN 8 Cb -0.14 -1.17 0.10 0.00 0.41 0.00 0.00 41.25 40.45 2rmm s ASN 8 CO -0.05 0.25 1.21 -0.83 -1.51 0.00 0.00 177.10 176.16 2rmm s GLY 9 N -0.14 -0.15 -0.25 0.66 0.00 -1.15 -1.66 107.32 104.63 2rmm s GLY 9 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 2rmm s GLY 9 CO 0.04 3.13 -0.21 0.28 0.00 0.00 0.00 173.10 176.33 2rmm n LYS 10 N -0.72 0.65 0.10 2.90 4.76 -1.26 -4.46 118.16 120.13 2rmm n LYS 10 Ca -0.02 0.17 -0.16 0.00 -2.87 0.00 0.00 58.31 55.44 2rmm n LYS 10 Cb 0.60 -1.53 -0.11 0.00 -1.84 0.00 0.00 35.03 32.15 2rmm n LYS 10 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2rmm h THR 11 N -0.11 1.46 -2.81 -0.18 2.02 -1.97 -3.47 112.91 107.84 2rmm h THR 11 Ca -0.58 -2.87 -0.11 0.00 0.77 0.00 0.00 66.41 63.62 2rmm h THR 11 Cb 1.87 2.80 -0.20 0.00 -1.74 0.00 0.00 68.15 70.89 2rmm h THR 11 CO -0.12 0.84 -0.17 -0.22 0.37 0.00 0.00 175.52 176.22 2rmm s LEU 12 N -7.34 0.53 0.12 2.58 0.20 -1.26 -5.18 118.68 108.33 2rmm s LEU 12 Ca -0.05 0.22 0.03 0.00 0.69 0.00 0.00 54.13 55.02 2rmm s LEU 12 Cb 0.07 1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 47.33 2rmm s LEU 12 CO 0.88 -0.48 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.84 2rmm s LYS 13 N -1.30 0.94 0.00 1.98 1.02 -1.26 -2.91 119.74 118.21 2rmm s LYS 13 Ca -0.13 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2rmm s LYS 13 Cb -0.04 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 2rmm s LYS 13 CO 0.05 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 2rmm n GLY 14 N -0.12 -1.47 3.09 -3.33 0.00 -0.72 -5.01 105.19 97.63 2rmm n GLY 14 Ca -0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.29 0.25 0.07 1.61 2.02 -1.26 -0.70 118.70 119.40 2rmm s GLU 15 Ca 0.00 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.44 2rmm s GLU 15 Cb 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.19 2rmm s GLU 15 CO 0.00 -0.10 -0.05 0.95 0.02 0.00 0.00 175.26 176.08 2rmm s THR 16 N 0.72 0.46 -0.01 3.63 -4.23 -0.20 -5.01 115.64 110.99 2rmm s THR 16 Ca -0.05 -1.80 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 2rmm s THR 16 Cb -0.06 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.27 2rmm s THR 16 CO -0.04 -0.89 0.05 -0.89 -0.54 0.00 0.00 174.62 172.31 2rmm s THR 17 N -3.56 0.03 0.15 3.99 2.01 -1.26 -0.43 115.64 116.56 2rmm s THR 17 Ca 0.08 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 2rmm s THR 17 Cb 0.05 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.39 2rmm s THR 17 CO -0.07 -0.13 0.19 0.28 -0.69 0.00 0.00 174.62 174.20 2rmm s THR 18 N -0.38 0.09 -0.14 -0.82 -1.32 -0.25 -5.01 115.64 107.81 2rmm s THR 18 Ca -0.04 -1.58 0.02 0.00 -1.21 0.00 0.00 61.69 58.88 2rmm s THR 18 Cb -0.03 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.09 2rmm s THR 18 CO 0.00 -0.39 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.13 2rmm s GLU 19 N -3.99 2.72 0.19 7.08 2.12 -1.26 -0.58 118.70 124.97 2rmm s GLU 19 Ca 0.19 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.79 2rmm s GLU 19 Cb 0.05 -2.26 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2rmm s GLU 19 CO -0.00 -0.07 0.05 0.00 -0.54 0.00 0.00 175.26 174.69 2rmm s ALA 20 N 0.98 1.32 0.16 6.30 0.00 -0.97 -4.95 121.76 124.60 2rmm s ALA 20 Ca -0.04 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.17 2rmm s ALA 20 Cb -0.15 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.80 2rmm s ALA 20 CO -0.04 -0.42 1.55 -0.24 0.00 0.00 0.00 175.76 176.62 2rmm h VAL 21 N 2.65 1.27 -3.70 0.00 3.04 -1.95 -3.10 116.25 114.46 2rmm h VAL 21 Ca -0.37 -1.37 -0.07 0.00 -1.01 0.00 0.00 66.70 63.88 2rmm h VAL 21 Cb 1.22 1.10 -0.10 0.00 -2.01 0.00 0.00 31.29 31.49 2rmm h VAL 21 CO 0.60 0.48 -0.17 -0.62 -1.01 0.00 0.00 177.57 176.85 2rmm s ASP 22 N -6.71 -0.07 0.57 3.17 -1.08 -1.26 -4.79 116.67 106.49 2rmm s ASP 22 Ca -0.11 -0.88 0.27 0.00 -0.52 0.00 0.00 52.55 51.31 2rmm s ASP 22 Cb 0.12 0.54 1.53 0.00 -1.46 0.00 0.00 42.92 43.65 2rmm s ASP 22 CO 0.87 -1.06 2.02 0.00 0.52 0.00 0.00 175.17 177.52 2rmm h ALA 23 N 2.33 2.10 -0.04 3.66 0.00 -1.97 -0.76 119.26 124.57 2rmm h ALA 23 Ca -0.28 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 2rmm h ALA 23 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2rmm h ALA 23 CO 0.39 -0.50 -0.86 0.00 0.00 0.00 0.00 179.25 178.28 2rmm h ALA 24 N 1.68 0.42 -0.08 0.00 0.00 -1.97 -0.59 119.26 118.72 2rmm h ALA 24 Ca 0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 2rmm h ALA 24 Cb 0.80 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2rmm h ALA 24 CO -0.00 0.77 -0.65 1.15 0.00 0.00 0.00 179.25 180.52 2rmm h THR 25 N 0.29 1.35 -0.67 0.00 2.02 -1.59 -0.29 112.91 114.01 2rmm h THR 25 Ca -0.06 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 2rmm h THR 25 Cb 1.48 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 70.11 2rmm h THR 25 CO 0.15 0.59 0.35 0.00 0.37 0.00 0.00 175.52 176.98 2rmm h ALA 26 N 0.45 1.34 -0.76 6.16 0.00 -1.33 0.08 119.26 125.19 2rmm h ALA 26 Ca -0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2rmm h ALA 26 Cb 1.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2rmm h ALA 26 CO 0.13 0.53 0.27 1.49 0.00 0.00 0.00 179.25 181.67 2rmm h GLU 27 N 0.95 1.16 -0.28 0.00 4.81 -1.11 -0.83 114.58 119.27 2rmm h GLU 27 Ca 0.24 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2rmm h GLU 27 Cb 0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2rmm h GLU 27 CO -0.03 0.97 0.07 -0.22 -0.73 0.00 0.00 179.01 179.06 2rmm h LYS 28 N 1.12 0.45 0.11 1.92 3.64 -0.10 0.13 116.57 123.84 2rmm h LYS 28 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2rmm h LYS 28 Cb 0.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2rmm h LYS 28 CO -0.01 0.53 -0.10 0.28 -2.27 0.00 0.00 179.45 177.88 2rmm h VAL 29 N 0.29 0.77 -0.91 2.00 2.07 -0.92 -1.13 116.25 118.42 2rmm h VAL 29 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2rmm h VAL 29 Cb 0.28 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 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 -0.23 1.23 0.00 1.57 0.04 -1.11 -1.39 116.94 117.05 2rmm h PHE 30 Ca 0.00 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2rmm h PHE 30 Cb 0.22 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 37.96 2rmm h PHE 30 CO -0.11 0.83 -0.13 0.87 -0.60 0.00 0.00 178.31 179.17 2rmm h LYS 31 N 1.27 0.00 -0.12 1.51 1.57 -0.87 0.20 116.57 120.13 2rmm h LYS 31 Ca 0.32 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.93 2rmm h LYS 31 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.31 2rmm h LYS 31 CO -0.06 0.13 -0.62 1.96 -0.57 0.00 0.00 179.45 180.29 2rmm h GLN 32 N 0.00 0.64 0.00 3.15 4.20 -0.29 -2.34 115.11 120.47 2rmm h GLN 32 Ca -0.00 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 58.17 2rmm h GLN 32 Cb 0.56 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2rmm h GLN 32 CO 0.02 1.14 -0.09 1.88 -0.67 0.00 0.00 178.83 181.11 2rmm h TYR 33 N 0.29 0.00 -0.19 2.96 -1.99 -1.03 -3.35 116.97 113.67 2rmm h TYR 33 Ca -0.04 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.50 2rmm h TYR 33 Cb 1.26 0.00 -0.24 0.00 2.00 0.00 0.00 36.73 39.75 2rmm h TYR 33 CO 0.10 0.09 -0.80 1.19 -0.00 0.00 0.00 178.16 178.74 2rmm n PHE 34 N -3.16 0.65 0.28 4.88 3.72 0.04 -4.93 117.46 118.93 2rmm n PHE 34 Ca 0.02 -1.41 -0.11 0.00 -0.05 0.00 0.00 57.45 55.89 2rmm n PHE 34 Cb 0.44 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.42 -0.62 0.00 4.37 -0.73 -1.55 -3.42 115.58 115.05 2rmm h ASN 35 Ca -0.02 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2rmm h ASN 35 Cb 1.40 0.16 0.00 0.00 0.27 0.00 0.00 38.32 40.15 2rmm h ASN 35 CO 0.19 -0.31 0.00 -0.90 -0.37 0.00 0.00 177.43 176.04 2rmm n ASP 36 N -4.71 0.00 0.15 1.15 5.75 -1.26 -4.55 116.55 113.07 2rmm n ASP 36 Ca -0.09 -0.87 0.04 0.00 -0.01 0.00 0.00 54.79 53.86 2rmm n ASP 36 Cb 0.29 0.00 0.44 0.00 -1.03 0.00 0.00 41.12 40.81 2rmm n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2rmm h ASN 37 N 0.00 0.17 0.00 -1.12 7.08 -1.91 -3.45 115.58 116.35 2rmm h ASN 37 Ca 0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 2rmm h ASN 37 Cb 0.87 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.06 2rmm h ASN 37 CO 0.00 0.30 0.00 0.61 -2.08 0.00 0.00 177.43 176.26 2rmm n GLY 38 N -0.99 0.00 0.33 9.14 0.00 -1.26 -5.07 105.19 107.34 2rmm n GLY 38 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2rmm n GLY 38 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rmm h VAL 39 N 0.00 0.00 -6.61 1.61 2.07 -1.87 -3.47 116.25 107.98 2rmm h VAL 39 Ca 0.00 -0.19 -0.53 0.00 0.82 0.00 0.00 66.70 66.80 2rmm h VAL 39 Cb 0.00 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 29.49 2rmm h VAL 39 CO 0.00 0.00 -0.78 -0.67 0.02 0.00 0.00 177.57 176.14 2rmm n ASP 40 N -4.71 -0.83 -2.93 0.57 2.03 -1.26 -4.60 116.55 104.82 2rmm n ASP 40 Ca -0.10 -1.06 -0.08 0.00 0.52 0.00 0.00 54.79 54.07 2rmm n ASP 40 Cb 0.32 -1.34 0.01 0.00 -0.72 0.00 0.00 41.12 39.38 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 -1.38 2.53 3.66 0.27 0.00 -1.26 -4.95 105.19 104.06 2rmm n GLY 41 Ca -0.01 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.78 4.25 0.08 1.61 2.12 -0.47 -4.86 118.70 118.66 2rmm s GLU 42 Ca 0.14 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 56.21 2rmm s GLU 42 Cb -0.01 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 2rmm s GLU 42 CO 0.09 -0.32 0.43 -1.58 -0.54 0.00 0.00 175.26 173.34 2rmm s TRP 43 N 2.13 3.60 0.04 5.30 0.52 -1.26 -2.03 118.94 127.24 2rmm s TRP 43 Ca 0.34 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.32 2rmm s TRP 43 Cb -0.16 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2rmm s TRP 43 CO 0.11 0.51 -0.04 0.99 0.02 0.00 0.00 176.95 178.54 2rmm s THR 44 N -1.38 0.26 -0.05 2.01 2.01 -0.25 -5.01 115.64 113.23 2rmm s THR 44 Ca 0.33 -1.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 2rmm s THR 44 Cb -0.14 -0.70 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2rmm s THR 44 CO 0.18 -0.61 0.11 -0.47 -0.69 0.00 0.00 174.62 173.14 2rmm s TYR 45 N -2.13 -0.12 -0.32 4.92 5.04 -1.26 -0.98 117.35 122.49 2rmm s TYR 45 Ca -0.08 0.33 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2rmm s TYR 45 Cb -0.05 0.00 0.08 0.00 0.35 0.00 0.00 41.96 42.35 2rmm s TYR 45 CO -0.03 -0.08 0.02 -0.51 -1.34 0.00 0.00 175.55 173.61 2rmm s ASP 46 N 0.34 4.78 0.31 4.32 1.01 -0.15 -5.01 116.67 122.28 2rmm s ASP 46 Ca -0.02 -1.79 -0.01 0.00 0.71 0.00 0.00 52.55 51.44 2rmm s ASP 46 Cb -0.04 -1.65 0.50 0.00 1.01 0.00 0.00 42.92 42.74 2rmm s ASP 46 CO -0.01 -0.34 1.98 -0.78 0.21 0.00 0.00 175.17 176.23 2rmm h ASP 47 N 7.78 0.88 0.00 0.27 3.58 -1.96 -2.26 116.42 124.72 2rmm h ASP 47 Ca -0.12 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2rmm h ASP 47 Cb 1.04 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2rmm h ASP 47 CO 0.53 0.64 0.17 0.00 -2.88 0.00 0.00 179.24 177.71 2rmm h ALA 48 N 1.51 1.17 0.00 -0.78 0.00 -1.96 -1.20 119.26 118.00 2rmm h ALA 48 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2rmm h ALA 48 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2rmm h ALA 48 CO -0.06 -0.17 -0.06 -2.37 0.00 0.00 0.00 179.25 176.59 2rmm n THR 49 N -2.90 0.69 -4.39 0.00 5.66 -1.13 -5.04 114.28 107.17 2rmm n THR 49 Ca -0.02 -0.75 -0.36 0.00 -3.05 0.00 0.00 64.05 59.87 2rmm n THR 49 Cb 0.22 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.47 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 -1.12 -4.50 1.09 4.76 -0.46 -4.89 118.16 112.62 2rmm n LYS 50 Ca 0.02 0.15 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 2rmm n LYS 50 Cb 0.45 -4.23 -0.15 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 -3.80 0.91 -0.00 -0.18 2.01 -0.90 -2.37 115.64 111.31 2rmm s THR 51 Ca 0.41 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2rmm s THR 51 Cb -0.24 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2rmm s THR 51 CO 1.00 0.27 0.10 -0.36 -0.69 0.00 0.00 174.62 174.94 2rmm s PHE 52 N -0.07 3.34 -0.05 4.92 0.40 0.44 -0.97 117.98 125.98 2rmm s PHE 52 Ca 0.01 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.58 2rmm s PHE 52 Cb -0.07 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.73 2rmm s PHE 52 CO 0.00 0.57 -0.03 0.99 0.70 0.00 0.00 175.22 177.46 2rmm s THR 53 N -1.23 0.48 -0.06 0.64 2.01 -0.15 -0.89 115.64 116.43 2rmm s THR 53 Ca 0.24 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.25 2rmm s THR 53 Cb -0.12 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.84 2rmm s THR 53 CO 0.15 0.23 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.43 2rmm s VAL 54 N 1.28 1.66 -0.17 3.82 1.01 0.09 -1.09 120.40 127.00 2rmm s VAL 54 Ca -0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2rmm s VAL 54 Cb -0.14 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.87 2rmm s VAL 54 CO -0.02 0.47 0.03 -0.89 0.00 0.00 0.00 175.10 174.69 2rmm s THR 55 N 0.16 0.47 -1.00 3.92 2.01 -0.86 -0.37 115.64 119.97 2rmm s THR 55 Ca -0.09 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2rmm s THR 55 Cb -0.14 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2rmm s THR 55 CO 0.04 -0.12 0.25 -0.62 -0.69 0.00 0.00 174.62 173.48