#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 4.45 0.17 0.03 2.00 -1.26 -1.77 119.66 123.28 2rmm s GLN 2 Ca 0.00 1.84 0.09 0.00 -2.00 0.00 0.00 55.36 55.29 2rmm s GLN 2 Cb 0.00 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.48 2rmm s GLN 2 CO 0.00 -0.19 -0.18 0.71 -0.50 0.00 0.00 175.29 175.13 2rmm s TYR 3 N 0.54 1.83 0.10 1.67 2.02 0.20 -4.94 117.35 118.77 2rmm s TYR 3 Ca 0.56 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 2rmm s TYR 3 Cb -0.31 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 2rmm s TYR 3 CO 0.33 0.34 -0.10 0.21 -1.57 0.00 0.00 175.55 174.76 2rmm s LYS 4 N -2.86 0.85 -0.04 -0.62 2.20 -0.85 -1.19 119.74 117.22 2rmm s LYS 4 Ca 0.17 -1.16 0.01 0.00 -0.36 0.00 0.00 55.97 54.62 2rmm s LYS 4 Cb -0.05 -0.54 0.02 0.00 -1.51 0.00 0.00 37.83 35.75 2rmm s LYS 4 CO 0.07 0.08 -0.04 -1.17 -0.36 0.00 0.00 175.35 173.93 2rmm s LEU 5 N -2.45 1.37 -0.14 5.43 1.98 0.54 -0.21 118.68 125.20 2rmm s LEU 5 Ca 0.06 -0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.15 2rmm s LEU 5 Cb -0.03 -0.44 -0.02 0.00 0.66 0.00 0.00 46.19 46.36 2rmm s LEU 5 CO 0.00 -0.05 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.71 2rmm s ILE 6 N 0.85 3.61 -0.22 6.68 1.01 0.32 -0.99 121.20 132.48 2rmm s ILE 6 Ca -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2rmm s ILE 6 Cb -0.14 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2rmm s ILE 6 CO 0.00 0.51 -0.07 -0.22 0.00 0.00 0.00 174.94 175.16 2rmm s LEU 7 N 0.30 2.80 -0.09 2.97 2.96 0.12 -0.80 118.68 126.94 2rmm s LEU 7 Ca -0.06 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2rmm s LEU 7 Cb -0.15 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 2rmm s LEU 7 CO 0.04 -0.03 -0.20 0.20 -1.32 0.00 0.00 176.35 175.04 2rmm s ASN 8 N 1.43 3.50 0.14 3.68 0.01 0.33 -1.65 114.94 122.38 2rmm s ASN 8 Ca 0.05 -0.42 -0.25 0.00 -0.71 0.00 0.00 52.86 51.54 2rmm s ASN 8 Cb -0.14 -1.20 0.08 0.00 0.41 0.00 0.00 41.25 40.39 2rmm s ASN 8 CO -0.05 0.22 1.06 -0.83 -1.51 0.00 0.00 177.10 175.99 2rmm s GLY 9 N 0.02 -0.08 -0.08 0.66 0.00 -1.14 -2.58 107.32 104.12 2rmm s GLY 9 Ca -0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 2rmm s GLY 9 CO 0.05 1.55 0.52 0.50 0.00 0.00 0.00 173.10 175.72 2rmm h LYS 10 N 2.00 0.25 0.00 2.90 1.57 -1.99 -3.39 116.57 117.91 2rmm h LYS 10 Ca -0.26 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2rmm h LYS 10 Cb 1.22 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2rmm h LYS 10 CO 0.31 1.11 -1.97 0.25 -0.57 0.00 0.00 179.45 178.59 2rmm n THR 11 N -3.43 0.00 -3.72 -0.16 -2.24 -1.26 -5.01 114.28 98.46 2rmm n THR 11 Ca -0.27 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 60.89 2rmm n THR 11 Cb 1.05 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.21 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 -4.47 0.47 0.05 3.22 0.20 -1.26 -5.18 118.68 111.70 2rmm s LEU 12 Ca -0.08 0.53 -0.02 0.00 0.69 0.00 0.00 54.13 55.26 2rmm s LEU 12 Cb 0.13 1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 47.35 2rmm s LEU 12 CO 0.88 -0.31 -0.01 -0.54 -0.29 0.00 0.00 176.35 176.08 2rmm s LYS 13 N -0.54 0.60 0.00 1.98 1.02 -1.26 -2.87 119.74 118.67 2rmm s LYS 13 Ca -0.07 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2rmm s LYS 13 Cb -0.04 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 2rmm s LYS 13 CO 0.03 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 2rmm n GLY 14 N 0.24 -1.29 3.13 -3.33 0.00 -0.66 -5.00 105.19 98.28 2rmm n GLY 14 Ca -0.15 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.80 0.45 0.07 1.61 2.02 -1.26 -0.70 118.70 120.09 2rmm s GLU 15 Ca 0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2rmm s GLU 15 Cb 0.00 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 2rmm s GLU 15 CO 0.00 -0.10 0.02 0.95 0.02 0.00 0.00 175.26 176.15 2rmm s THR 16 N -0.87 0.19 -0.01 3.63 -4.23 -0.16 -5.01 115.64 109.18 2rmm s THR 16 Ca -0.10 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.64 2rmm s THR 16 Cb -0.05 -1.60 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 2rmm s THR 16 CO 0.02 -0.85 0.05 -0.89 -0.54 0.00 0.00 174.62 172.42 2rmm s THR 17 N -3.94 0.04 0.08 3.99 2.01 -1.26 -0.34 115.64 116.23 2rmm s THR 17 Ca 0.10 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 2rmm s THR 17 Cb 0.07 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 2rmm s THR 17 CO -0.08 -0.19 0.16 0.28 -0.69 0.00 0.00 174.62 174.11 2rmm s THR 18 N -0.58 0.15 -0.20 -0.82 -1.32 -0.34 -5.01 115.64 107.52 2rmm s THR 18 Ca -0.06 -1.24 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 2rmm s THR 18 Cb -0.04 -1.34 -0.00 0.00 -1.51 0.00 0.00 72.50 69.61 2rmm s THR 18 CO 0.00 -0.68 -0.09 -0.70 -2.21 0.00 0.00 174.62 170.93 2rmm s GLU 19 N -3.81 3.26 0.15 7.08 2.12 -1.26 -0.62 118.70 125.62 2rmm s GLU 19 Ca 0.05 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.70 2rmm s GLU 19 Cb 0.05 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2rmm s GLU 19 CO -0.11 -0.18 0.01 0.00 -0.54 0.00 0.00 175.26 174.45 2rmm s ALA 20 N 1.36 1.18 0.23 6.30 0.00 -0.73 -4.94 121.76 125.17 2rmm s ALA 20 Ca 0.05 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2rmm s ALA 20 Cb -0.14 0.59 0.24 0.00 0.00 0.00 0.00 23.12 23.81 2rmm s ALA 20 CO -0.06 -0.36 1.74 -0.24 0.00 0.00 0.00 175.76 176.84 2rmm h VAL 21 N 2.77 1.25 -3.53 0.00 3.04 -1.95 -0.37 116.25 117.46 2rmm h VAL 21 Ca -0.36 -1.00 -0.05 0.00 -1.01 0.00 0.00 66.70 64.27 2rmm h VAL 21 Cb 1.20 0.74 -0.08 0.00 -2.01 0.00 0.00 31.29 31.15 2rmm h VAL 21 CO 0.62 0.37 -0.03 1.51 -1.01 0.00 0.00 177.57 179.02 2rmm s ASP 22 N -6.58 -0.02 0.54 3.17 1.47 -1.26 -4.48 116.67 109.52 2rmm s ASP 22 Ca -0.11 -0.94 0.24 0.00 1.18 0.00 0.00 52.55 52.93 2rmm s ASP 22 Cb 0.15 0.64 1.44 0.00 -0.34 0.00 0.00 42.92 44.80 2rmm s ASP 22 CO 0.83 -1.23 2.05 0.00 0.68 0.00 0.00 175.17 177.49 2rmm h ALA 23 N 2.18 2.23 -0.00 2.11 0.00 -1.96 -1.23 119.26 122.59 2rmm h ALA 23 Ca -0.25 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2rmm h ALA 23 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2rmm h ALA 23 CO 0.34 -0.45 -0.95 0.00 0.00 0.00 0.00 179.25 178.19 2rmm h ALA 24 N 1.78 0.34 -0.22 0.00 0.00 -1.97 0.60 119.26 119.79 2rmm h ALA 24 Ca 0.16 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2rmm h ALA 24 Cb 0.70 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2rmm h ALA 24 CO -0.00 0.80 -0.21 1.15 0.00 0.00 0.00 179.25 181.00 2rmm h THR 25 N 0.25 1.32 -0.61 0.00 2.02 -1.77 -0.07 112.91 114.05 2rmm h THR 25 Ca -0.08 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 2rmm h THR 25 Cb 1.59 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 2rmm h THR 25 CO 0.17 0.42 0.26 0.00 0.37 0.00 0.00 175.52 176.73 2rmm h ALA 26 N 0.67 1.30 -0.81 6.16 0.00 -1.28 0.11 119.26 125.41 2rmm h ALA 26 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rmm h ALA 26 Cb 0.75 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2rmm h ALA 26 CO 0.05 0.52 0.39 1.49 0.00 0.00 0.00 179.25 181.70 2rmm h GLU 27 N 0.88 1.17 -0.33 0.00 4.81 -0.84 -0.27 114.58 119.99 2rmm h GLU 27 Ca 0.21 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2rmm h GLU 27 Cb 0.15 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2rmm h GLU 27 CO -0.02 0.90 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.80 2rmm h LYS 28 N 1.16 0.68 -0.03 1.92 3.64 -0.11 0.65 116.57 124.49 2rmm h LYS 28 Ca 0.28 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2rmm h LYS 28 Cb 0.12 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2rmm h LYS 28 CO -0.03 0.88 0.02 0.28 -2.27 0.00 0.00 179.45 178.32 2rmm h VAL 29 N 0.45 1.04 -0.78 2.00 2.07 -0.89 -1.02 116.25 119.13 2rmm h VAL 29 Ca 0.08 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2rmm h VAL 29 Cb 0.66 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2rmm h VAL 29 CO 0.04 0.03 0.52 -0.26 0.02 0.00 0.00 177.57 177.92 2rmm h PHE 30 N -0.01 0.98 0.00 1.57 0.04 -1.04 -1.72 116.94 116.77 2rmm h PHE 30 Ca 0.01 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2rmm h PHE 30 Cb 0.04 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 2rmm h PHE 30 CO -0.06 0.62 -0.20 0.87 -0.60 0.00 0.00 178.31 178.94 2rmm h LYS 31 N 1.06 0.00 -0.22 1.51 1.57 -0.75 -0.06 116.57 119.67 2rmm h LYS 31 Ca 0.29 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.90 2rmm h LYS 31 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2rmm h LYS 31 CO -0.06 0.20 -0.54 1.96 -0.57 0.00 0.00 179.45 180.43 2rmm h GLN 32 N 0.00 0.66 0.00 3.15 4.20 -0.32 -0.91 115.11 121.89 2rmm h GLN 32 Ca -0.00 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.29 2rmm h GLN 32 Cb 0.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2rmm h GLN 32 CO 0.03 1.03 0.00 1.88 -0.67 0.00 0.00 178.83 181.10 2rmm h TYR 33 N 0.51 0.00 0.00 2.96 -1.99 -1.03 -3.39 116.97 114.03 2rmm h TYR 33 Ca 0.01 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 2rmm h TYR 33 Cb 1.11 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.72 2rmm h TYR 33 CO 0.05 0.00 -0.56 1.19 -0.00 0.00 0.00 178.16 178.84 2rmm n PHE 34 N -2.93 0.00 0.09 4.88 3.72 -0.07 -4.88 117.46 118.27 2rmm n PHE 34 Ca 0.04 -0.56 -0.04 0.00 -0.05 0.00 0.00 57.45 56.84 2rmm n PHE 34 Cb 0.47 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.44 -0.20 0.00 4.37 7.08 -1.36 -3.41 115.58 122.49 2rmm h ASN 35 Ca -0.07 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 2rmm h ASN 35 Cb 1.41 0.05 0.00 0.00 -2.08 0.00 0.00 38.32 37.70 2rmm h ASN 35 CO 0.03 -0.12 -0.06 -0.90 -2.08 0.00 0.00 177.43 174.30 2rmm n ASP 36 N -2.78 0.00 -0.12 6.14 5.68 -1.26 -4.09 116.55 120.11 2rmm n ASP 36 Ca -0.03 -1.12 0.05 0.00 -0.50 0.00 0.00 54.79 53.19 2rmm n ASP 36 Cb 0.09 -0.02 0.37 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.62 0.00 -1.12 -1.07 -1.90 -3.45 115.58 108.66 2rmm h ASN 37 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2rmm h ASN 37 Cb 1.05 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.16 2rmm h ASN 37 CO 0.00 0.42 0.00 0.61 0.07 0.00 0.00 177.43 178.53 2rmm n GLY 38 N -1.46 0.00 0.28 9.14 0.00 -1.26 -5.06 105.19 106.83 2rmm n GLY 38 Ca 0.08 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.47 -6.69 1.61 2.07 -1.86 -3.47 116.25 108.37 2rmm h VAL 39 Ca 0.00 -0.35 -0.52 0.00 0.82 0.00 0.00 66.70 66.65 2rmm h VAL 39 Cb 0.00 0.61 -0.21 0.00 -1.52 0.00 0.00 31.29 30.18 2rmm h VAL 39 CO 0.00 0.05 -0.80 -0.67 0.02 0.00 0.00 177.57 176.18 2rmm n ASP 40 N -5.28 0.31 -3.44 0.57 2.03 -1.26 -4.74 116.55 104.74 2rmm n ASP 40 Ca -0.11 -1.06 -0.14 0.00 0.52 0.00 0.00 54.79 54.00 2rmm n ASP 40 Cb 0.30 -1.33 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 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 -2.04 3.06 3.60 0.27 0.00 -1.26 -4.96 105.19 103.87 2rmm n GLY 41 Ca -0.20 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 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 -3.12 3.94 0.21 1.61 2.56 -0.03 -4.88 118.70 118.99 2rmm s GLU 42 Ca 0.13 0.30 -0.20 0.00 0.00 0.00 0.00 54.97 55.20 2rmm s GLU 42 Cb -0.01 -3.71 -0.08 0.00 2.00 0.00 0.00 34.13 32.33 2rmm s GLU 42 CO 0.08 -0.51 0.72 -1.58 -0.56 0.00 0.00 175.26 173.42 2rmm s TRP 43 N 2.51 3.68 0.04 5.30 0.52 -1.26 -2.68 118.94 127.05 2rmm s TRP 43 Ca 0.24 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.77 2rmm s TRP 43 Cb -0.15 -2.63 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2rmm s TRP 43 CO 0.11 0.36 -0.04 0.99 0.02 0.00 0.00 176.95 178.39 2rmm s THR 44 N -1.47 0.28 -0.03 2.01 2.01 -0.59 -5.00 115.64 112.85 2rmm s THR 44 Ca 0.42 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2rmm s THR 44 Cb -0.17 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.44 2rmm s THR 44 CO 0.21 -0.69 0.09 -0.47 -0.69 0.00 0.00 174.62 173.07 2rmm s TYR 45 N -2.52 -0.05 -0.24 4.92 5.04 -1.26 -1.05 117.35 122.17 2rmm s TYR 45 Ca -0.04 0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.73 2rmm s TYR 45 Cb -0.02 0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.33 2rmm s TYR 45 CO -0.04 -0.09 -0.10 0.34 -1.34 0.00 0.00 175.55 174.32 2rmm s ASP 46 N -0.25 4.15 0.05 4.32 -1.08 0.24 -5.01 116.67 119.09 2rmm s ASP 46 Ca -0.03 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.24 2rmm s ASP 46 Cb -0.02 -1.59 1.06 0.00 -1.46 0.00 0.00 42.92 40.91 2rmm s ASP 46 CO 0.00 -0.13 1.83 -0.67 0.52 0.00 0.00 175.17 176.72 2rmm n ASP 47 N 4.57 0.23 0.15 -0.34 2.03 -1.26 -1.06 116.55 120.88 2rmm n ASP 47 Ca -0.16 0.43 0.03 0.00 0.52 0.00 0.00 54.79 55.61 2rmm n ASP 47 Cb 0.46 -0.47 0.13 0.00 -0.72 0.00 0.00 41.12 40.52 2rmm n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rmm h ALA 48 N 2.89 0.76 0.00 -1.67 0.00 -1.97 -3.37 119.26 115.91 2rmm h ALA 48 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2rmm h ALA 48 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2rmm h ALA 48 CO 0.00 0.63 0.00 -2.37 0.00 0.00 0.00 179.25 177.51 2rmm n THR 49 N -3.36 0.51 -3.70 0.00 5.66 -1.24 -5.06 114.28 107.10 2rmm n THR 49 Ca 0.01 -0.53 -0.23 0.00 -3.05 0.00 0.00 64.05 60.25 2rmm n THR 49 Cb 0.67 0.78 0.05 0.00 -1.55 0.00 0.00 70.33 70.27 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 -0.25 -5.71 -4.25 1.09 4.76 -0.22 -4.89 118.16 108.68 2rmm n LYS 50 Ca 0.00 0.68 -0.17 0.00 -2.87 0.00 0.00 58.31 55.95 2rmm n LYS 50 Cb 0.34 -5.45 -0.14 0.00 -1.84 0.00 0.00 35.03 27.94 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 -3.49 0.66 0.02 -0.18 2.01 -0.86 -2.02 115.64 111.79 2rmm s THR 51 Ca 0.23 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2rmm s THR 51 Cb -0.11 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2rmm s THR 51 CO 0.79 0.04 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.40 2rmm s PHE 52 N -0.50 3.03 -0.13 4.92 0.40 0.71 -0.59 117.98 125.81 2rmm s PHE 52 Ca 0.00 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.35 2rmm s PHE 52 Cb -0.05 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.89 2rmm s PHE 52 CO 0.00 0.45 0.02 0.99 0.70 0.00 0.00 175.22 177.39 2rmm s THR 53 N -1.13 0.40 -0.11 0.64 2.01 -0.22 -0.52 115.64 116.72 2rmm s THR 53 Ca 0.21 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.02 2rmm s THR 53 Cb -0.11 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2rmm s THR 53 CO 0.12 0.01 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.23 2rmm s VAL 54 N 1.94 2.98 -0.01 3.82 1.01 0.02 -1.54 120.40 128.62 2rmm s VAL 54 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2rmm s VAL 54 Cb -0.15 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 2rmm s VAL 54 CO -0.07 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 2rmm s THR 55 N 0.13 0.52 -2.00 3.92 2.01 -1.09 -0.51 115.64 118.62 2rmm s THR 55 Ca -0.07 -0.28 0.26 0.00 0.31 0.00 0.00 61.69 61.91 2rmm s THR 55 Cb -0.15 -0.44 0.74 0.00 0.01 0.00 0.00 72.50 72.65 2rmm s THR 55 CO 0.05 0.15 1.90 -0.62 -0.69 0.00 0.00 174.62 175.41