#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 4.41 0.21 2.12 2.00 -1.26 -2.17 119.66 124.97 2rmm s GLN 2 Ca 0.00 1.74 0.09 0.00 -2.00 0.00 0.00 55.36 55.19 2rmm s GLN 2 Cb 0.00 -3.41 -0.05 0.00 0.80 0.00 0.00 33.01 30.36 2rmm s GLN 2 CO 0.00 -0.30 -0.17 0.71 -0.50 0.00 0.00 175.29 175.03 2rmm s TYR 3 N 1.36 1.87 0.08 1.67 2.02 -0.20 -4.90 117.35 119.25 2rmm s TYR 3 Ca 0.58 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2rmm s TYR 3 Cb -0.28 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 2rmm s TYR 3 CO 0.27 0.43 -0.08 0.21 -1.57 0.00 0.00 175.55 174.82 2rmm s LYS 4 N -3.35 0.72 -0.19 -0.62 2.20 -1.01 -1.27 119.74 116.22 2rmm s LYS 4 Ca 0.22 -1.08 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 2rmm s LYS 4 Cb -0.03 -0.29 0.06 0.00 -1.51 0.00 0.00 37.83 36.06 2rmm s LYS 4 CO 0.08 0.02 0.01 -1.17 -0.36 0.00 0.00 175.35 173.94 2rmm s LEU 5 N -2.38 1.43 -0.11 5.43 1.98 0.54 -0.42 118.68 125.15 2rmm s LEU 5 Ca 0.02 -0.83 -0.22 0.00 -2.89 0.00 0.00 54.13 50.22 2rmm s LEU 5 Cb -0.02 -0.72 -0.03 0.00 0.66 0.00 0.00 46.19 46.08 2rmm s LEU 5 CO -0.02 -0.28 0.63 -0.63 -1.89 0.00 0.00 176.35 174.17 2rmm s ILE 6 N 1.76 5.07 -0.23 6.68 1.01 -0.01 -0.99 121.20 134.50 2rmm s ILE 6 Ca -0.01 1.28 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 2rmm s ILE 6 Cb -0.17 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2rmm s ILE 6 CO -0.07 0.23 -0.02 -0.22 0.00 0.00 0.00 174.94 174.86 2rmm s LEU 7 N 1.04 3.04 -0.08 2.97 2.96 0.10 -0.91 118.68 127.80 2rmm s LEU 7 Ca 0.33 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2rmm s LEU 7 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2rmm s LEU 7 CO 0.14 -0.03 -0.19 0.20 -1.32 0.00 0.00 176.35 175.15 2rmm s ASN 8 N 1.51 3.56 0.11 3.68 0.01 0.41 -2.18 114.94 122.04 2rmm s ASN 8 Ca 0.06 -0.39 -0.17 0.00 -0.71 0.00 0.00 52.86 51.65 2rmm s ASN 8 Cb -0.15 -1.07 0.06 0.00 0.41 0.00 0.00 41.25 40.50 2rmm s ASN 8 CO -0.02 0.25 0.79 0.61 -1.51 0.00 0.00 177.10 177.22 2rmm n GLY 9 N 2.96 0.69 0.73 0.66 0.00 -1.25 -2.85 105.19 106.14 2rmm n GLY 9 Ca -0.18 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.85 2rmm n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rmm n LYS 10 N -0.56 1.89 0.00 1.61 4.76 -1.26 -4.62 118.16 119.98 2rmm n LYS 10 Ca -0.01 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 2rmm n LYS 10 Cb 0.43 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 2rmm n LYS 10 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2rmm n THR 11 N 0.87 0.00 -3.89 -0.18 -1.04 -1.26 -5.10 114.28 103.68 2rmm n THR 11 Ca 0.12 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.02 2rmm n THR 11 Cb 0.43 -0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 68.45 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 -4.18 1.81 0.07 -4.42 0.20 -1.26 -5.18 118.68 105.72 2rmm s LEU 12 Ca 0.00 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.71 2rmm s LEU 12 Cb 0.00 0.33 -0.04 0.00 -0.43 0.00 0.00 46.19 46.06 2rmm s LEU 12 CO 0.00 -0.20 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.27 2rmm s LYS 13 N -0.76 0.67 0.00 1.98 1.02 -1.26 -3.80 119.74 117.60 2rmm s LYS 13 Ca -0.08 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.78 2rmm s LYS 13 Cb -0.05 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 2rmm s LYS 13 CO 0.00 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 2rmm n GLY 14 N 0.46 -1.27 3.04 -3.33 0.00 -0.92 -5.01 105.19 98.16 2rmm n GLY 14 Ca -0.16 -0.93 -0.13 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 -0.65 0.19 0.09 1.61 2.02 -1.26 -0.72 118.70 119.98 2rmm s GLU 15 Ca 0.00 0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.29 2rmm s GLU 15 Cb 0.00 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 2rmm s GLU 15 CO 0.00 -0.05 -0.07 0.95 0.02 0.00 0.00 175.26 176.11 2rmm s THR 16 N 0.29 0.72 -0.05 3.63 -4.23 -0.16 -4.99 115.64 110.85 2rmm s THR 16 Ca -0.02 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.66 2rmm s THR 16 Cb -0.03 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.33 2rmm s THR 16 CO -0.01 -0.76 0.15 -0.89 -0.54 0.00 0.00 174.62 172.58 2rmm s THR 17 N -3.14 0.01 0.15 3.99 2.01 -1.26 -0.34 115.64 117.07 2rmm s THR 17 Ca 0.08 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 2rmm s THR 17 Cb 0.02 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 2rmm s THR 17 CO -0.03 -0.06 0.13 0.28 -0.69 0.00 0.00 174.62 174.25 2rmm s THR 18 N -0.13 0.08 -0.22 -0.82 -1.32 -0.39 -5.01 115.64 107.83 2rmm s THR 18 Ca -0.02 -1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 58.65 2rmm s THR 18 Cb -0.02 -2.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.95 2rmm s THR 18 CO 0.00 -0.34 -0.02 -0.70 -2.21 0.00 0.00 174.62 171.35 2rmm s GLU 19 N -4.05 1.24 0.27 7.08 2.12 -1.26 -1.03 118.70 123.07 2rmm s GLU 19 Ca 0.25 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.85 2rmm s GLU 19 Cb 0.06 -2.39 -0.06 0.00 0.26 0.00 0.00 34.13 32.01 2rmm s GLU 19 CO 0.03 -0.61 0.05 0.00 -0.54 0.00 0.00 175.26 174.19 2rmm s ALA 20 N 1.58 1.98 0.17 6.30 0.00 -0.92 -4.88 121.76 126.00 2rmm s ALA 20 Ca -0.04 -1.91 -0.08 0.00 0.00 0.00 0.00 51.96 49.93 2rmm s ALA 20 Cb -0.18 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.75 2rmm s ALA 20 CO -0.07 -0.35 1.57 -0.24 0.00 0.00 0.00 175.76 176.67 2rmm h VAL 21 N 2.31 1.27 -3.71 0.00 3.04 -1.95 -1.36 116.25 115.85 2rmm h VAL 21 Ca -0.39 -1.38 -0.07 0.00 -1.01 0.00 0.00 66.70 63.85 2rmm h VAL 21 Cb 1.24 1.16 -0.10 0.00 -2.01 0.00 0.00 31.29 31.57 2rmm h VAL 21 CO 0.65 0.47 -0.16 -0.62 -1.01 0.00 0.00 177.57 176.90 2rmm s ASP 22 N -6.74 -0.07 0.50 3.17 2.15 -1.26 -4.59 116.67 109.83 2rmm s ASP 22 Ca -0.11 -0.92 0.28 0.00 0.43 0.00 0.00 52.55 52.23 2rmm s ASP 22 Cb 0.12 0.55 1.37 0.00 -0.30 0.00 0.00 42.92 44.67 2rmm s ASP 22 CO 0.86 -1.09 1.88 0.00 -0.17 0.00 0.00 175.17 176.66 2rmm h ALA 23 N 2.31 2.66 0.00 3.66 0.00 -1.96 -0.32 119.26 125.61 2rmm h ALA 23 Ca -0.27 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2rmm h ALA 23 Cb 1.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2rmm h ALA 23 CO 0.38 -0.93 -0.83 0.00 0.00 0.00 0.00 179.25 177.87 2rmm h ALA 24 N 1.58 0.61 0.04 0.00 0.00 -1.97 -0.42 119.26 119.09 2rmm h ALA 24 Ca 0.44 -0.76 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 2rmm h ALA 24 Cb 1.55 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.23 2rmm h ALA 24 CO -0.06 1.04 -0.86 1.15 0.00 0.00 0.00 179.25 180.52 2rmm h THR 25 N 0.00 1.37 -0.90 0.00 2.02 -1.51 -0.55 112.91 113.35 2rmm h THR 25 Ca -0.01 -2.25 0.01 0.00 0.77 0.00 0.00 66.41 64.93 2rmm h THR 25 Cb 1.49 2.64 -0.04 0.00 -1.74 0.00 0.00 68.15 70.49 2rmm h THR 25 CO 0.11 0.67 0.59 0.00 0.37 0.00 0.00 175.52 177.26 2rmm h ALA 26 N 0.30 1.14 -0.97 6.16 0.00 -1.33 -0.19 119.26 124.38 2rmm h ALA 26 Ca -0.12 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2rmm h ALA 26 Cb 1.57 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2rmm h ALA 26 CO 0.17 0.53 0.63 1.49 0.00 0.00 0.00 179.25 182.07 2rmm h GLU 27 N 1.21 1.28 -0.44 0.00 4.81 -1.10 -0.05 114.58 120.28 2rmm h GLU 27 Ca 0.33 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2rmm h GLU 27 Cb -0.13 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 28.94 2rmm h GLU 27 CO -0.07 0.85 0.04 -0.22 -0.73 0.00 0.00 179.01 178.88 2rmm h LYS 28 N 1.31 0.75 -0.11 1.92 3.64 -0.19 0.03 116.57 123.92 2rmm h LYS 28 Ca 0.35 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2rmm h LYS 28 Cb -0.14 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 2rmm h LYS 28 CO -0.07 0.80 0.06 0.28 -2.27 0.00 0.00 179.45 178.24 2rmm h VAL 29 N 0.60 1.09 -0.88 2.00 2.07 -0.82 -1.72 116.25 118.58 2rmm h VAL 29 Ca 0.13 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2rmm h VAL 29 Cb 0.43 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2rmm h VAL 29 CO 0.02 0.08 0.56 -0.26 0.02 0.00 0.00 177.57 177.99 2rmm h PHE 30 N 0.09 1.12 0.00 1.57 0.04 -0.96 -1.97 116.94 116.83 2rmm h PHE 30 Ca 0.04 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2rmm h PHE 30 Cb 0.07 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 2rmm h PHE 30 CO -0.04 0.72 -0.03 0.87 -0.60 0.00 0.00 178.31 179.23 2rmm h LYS 31 N 1.20 0.00 -0.07 1.51 1.57 -0.93 -0.12 116.57 119.74 2rmm h LYS 31 Ca 0.32 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 2rmm h LYS 31 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2rmm h LYS 31 CO -0.07 0.03 -0.16 1.96 -0.57 0.00 0.00 179.45 180.64 2rmm h GLN 32 N 0.00 0.22 -0.36 3.15 4.20 -0.57 -2.13 115.11 119.62 2rmm h GLN 32 Ca -0.00 -0.15 -0.16 0.00 0.06 0.00 0.00 58.65 58.39 2rmm h GLN 32 Cb 0.58 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2rmm h GLN 32 CO 0.00 0.76 -0.41 1.88 -0.67 0.00 0.00 178.83 180.39 2rmm h TYR 33 N -0.28 1.09 -0.84 2.96 -1.99 -1.35 -3.31 116.97 113.25 2rmm h TYR 33 Ca -0.00 -0.33 -0.46 0.00 2.00 0.00 0.00 58.73 59.93 2rmm h TYR 33 Cb 0.76 -0.23 -0.26 0.00 2.00 0.00 0.00 36.73 39.00 2rmm h TYR 33 CO 0.12 1.15 0.48 1.19 -0.00 0.00 0.00 178.16 181.10 2rmm n PHE 34 N -4.05 2.63 -0.14 4.88 3.72 -0.07 -4.71 117.46 119.72 2rmm n PHE 34 Ca -0.02 -1.93 0.14 0.00 -0.05 0.00 0.00 57.45 55.59 2rmm n PHE 34 Cb 0.56 -0.89 0.50 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.13 0.38 0.00 4.37 7.08 -1.47 -3.45 115.58 123.62 2rmm h ASN 35 Ca 0.54 0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.77 2rmm h ASN 35 Cb 2.35 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 38.53 2rmm h ASN 35 CO 0.99 0.21 0.00 -0.67 -2.08 0.00 0.00 177.43 175.87 2rmm n ASP 36 N -4.47 0.00 -1.64 6.14 2.03 -1.26 -4.91 116.55 112.44 2rmm n ASP 36 Ca 0.13 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.38 2rmm n ASP 36 Cb 0.49 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 41.29 2rmm n ASP 36 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2rmm n ASN 37 N -2.27 -1.83 -0.07 1.67 3.02 -1.26 -0.79 115.26 113.73 2rmm n ASN 37 Ca 0.00 0.22 -0.01 0.00 -0.03 0.00 0.00 54.58 54.76 2rmm n ASN 37 Cb 0.00 -1.85 -0.00 0.00 -0.61 0.00 0.00 39.78 37.32 2rmm n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rmm n GLY 38 N -0.30 0.10 0.07 7.41 0.00 -1.26 -4.85 105.19 106.35 2rmm n GLY 38 Ca -0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 1.42 -6.31 1.61 2.07 -1.38 -3.48 116.25 110.18 2rmm h VAL 39 Ca -0.02 -2.11 -0.48 0.00 0.82 0.00 0.00 66.70 64.91 2rmm h VAL 39 Cb 0.99 2.73 -0.26 0.00 -1.52 0.00 0.00 31.29 33.24 2rmm h VAL 39 CO 0.03 0.48 -0.71 -0.90 0.02 0.00 0.00 177.57 176.49 2rmm n ASP 40 N -4.62 -0.84 -4.31 0.57 5.75 -0.93 -4.76 116.55 107.41 2rmm n ASP 40 Ca -0.11 -0.96 -0.30 0.00 -0.01 0.00 0.00 54.79 53.42 2rmm n ASP 40 Cb 0.42 -1.22 0.17 0.00 -1.03 0.00 0.00 41.12 39.47 2rmm n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2rmm s GLY 41 N -3.07 1.66 0.35 6.12 0.00 -1.26 -5.01 107.32 106.11 2rmm s GLY 41 Ca 0.47 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 44.02 2rmm s GLY 41 CO 0.78 -0.20 1.03 1.85 0.00 0.00 0.00 173.10 176.56 2rmm s GLU 42 N -5.59 4.38 -0.04 2.90 2.56 -0.03 -4.85 118.70 118.03 2rmm s GLU 42 Ca 0.69 1.53 0.01 0.00 0.00 0.00 0.00 54.97 57.20 2rmm s GLU 42 Cb -0.09 -2.76 -0.03 0.00 2.00 0.00 0.00 34.13 33.25 2rmm s GLU 42 CO 0.53 0.05 -0.04 -1.58 -0.56 0.00 0.00 175.26 173.67 2rmm s TRP 43 N -1.53 3.01 0.05 5.30 0.52 -1.26 -1.99 118.94 123.03 2rmm s TRP 43 Ca 0.53 0.06 -0.00 0.00 0.02 0.00 0.00 56.10 56.71 2rmm s TRP 43 Cb -0.23 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 2rmm s TRP 43 CO 0.30 0.40 -0.04 0.99 0.02 0.00 0.00 176.95 178.62 2rmm s THR 44 N -0.93 0.29 -0.09 2.01 2.01 -0.45 -5.00 115.64 113.47 2rmm s THR 44 Ca 0.15 -1.55 -0.07 0.00 0.31 0.00 0.00 61.69 60.53 2rmm s THR 44 Cb -0.11 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2rmm s THR 44 CO 0.05 -0.81 0.24 -0.47 -0.69 0.00 0.00 174.62 172.94 2rmm s TYR 45 N -3.07 -0.28 -0.24 4.92 5.04 -1.26 -1.21 117.35 121.25 2rmm s TYR 45 Ca 0.01 0.69 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 2rmm s TYR 45 Cb 0.02 0.07 0.04 0.00 0.35 0.00 0.00 41.96 42.44 2rmm s TYR 45 CO -0.06 -0.17 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.36 2rmm s ASP 46 N 0.60 4.12 0.18 4.32 1.01 -0.12 -5.01 116.67 121.77 2rmm s ASP 46 Ca -0.04 -1.05 0.05 0.00 0.71 0.00 0.00 52.55 52.21 2rmm s ASP 46 Cb -0.05 -1.58 0.04 0.00 1.01 0.00 0.00 42.92 42.34 2rmm s ASP 46 CO -0.03 -0.13 1.41 -0.78 0.21 0.00 0.00 175.17 175.85 2rmm h ASP 47 N 7.90 0.17 0.04 0.27 3.58 -1.95 -1.37 116.42 125.06 2rmm h ASP 47 Ca -0.30 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2rmm h ASP 47 Cb 1.09 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2rmm h ASP 47 CO 0.54 0.93 0.00 0.00 -2.88 0.00 0.00 179.24 177.83 2rmm n ALA 48 N -2.44 1.06 -0.68 -0.78 0.00 -1.26 -0.97 120.51 115.45 2rmm n ALA 48 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2rmm n ALA 48 Cb 0.79 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 19.15 2rmm n ALA 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2rmm n THR 49 N -1.72 0.65 -4.18 0.00 5.66 -1.20 -5.04 114.28 108.45 2rmm n THR 49 Ca -0.00 -0.69 -0.36 0.00 -3.05 0.00 0.00 64.05 59.95 2rmm n THR 49 Cb 0.02 0.59 -0.08 0.00 -1.55 0.00 0.00 70.33 69.32 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 -0.38 -0.79 -4.67 1.09 4.76 -0.15 -4.86 118.16 113.17 2rmm n LYS 50 Ca 0.02 0.11 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 2rmm n LYS 50 Cb 0.43 -3.95 -0.15 0.00 -1.84 0.00 0.00 35.03 29.51 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 -3.28 1.15 -0.01 -0.18 2.01 -0.56 -2.40 115.64 112.37 2rmm s THR 51 Ca 0.57 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2rmm s THR 51 Cb -0.33 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2rmm s THR 51 CO 0.91 0.33 0.14 -0.36 -0.69 0.00 0.00 174.62 174.95 2rmm s PHE 52 N -0.23 3.45 -0.08 4.92 0.40 0.44 -0.95 117.98 125.93 2rmm s PHE 52 Ca 0.03 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2rmm s PHE 52 Cb -0.07 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.69 2rmm s PHE 52 CO -0.00 0.61 -0.07 0.99 0.70 0.00 0.00 175.22 177.45 2rmm s THR 53 N -1.27 0.86 -0.13 0.64 2.01 -0.35 -0.83 115.64 116.58 2rmm s THR 53 Ca 0.25 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2rmm s THR 53 Cb -0.12 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2rmm s THR 53 CO 0.16 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.55 2rmm s VAL 54 N 1.26 2.65 -0.01 3.82 1.01 -0.09 -1.34 120.40 127.70 2rmm s VAL 54 Ca -0.04 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2rmm s VAL 54 Cb -0.14 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 2rmm s VAL 54 CO -0.02 0.53 -0.06 -0.89 0.00 0.00 0.00 175.10 174.65 2rmm s THR 55 N 0.47 0.52 -2.00 3.92 2.01 -0.84 -0.44 115.64 119.27 2rmm s THR 55 Ca -0.12 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2rmm s THR 55 Cb -0.16 -0.44 0.21 0.00 0.01 0.00 0.00 72.50 72.11 2rmm s THR 55 CO 0.05 0.15 0.90 -0.62 -0.69 0.00 0.00 174.62 174.41