#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n LEU 2 N 0.00 0.00 0.20 -0.89 4.77 -1.26 -3.33 117.00 116.49 1nu1 n LEU 2 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1nu1 n LEU 2 Cb 0.00 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.66 1nu1 n LEU 2 CO 0.00 0.00 0.92 0.71 -1.33 0.00 0.00 177.39 177.69 1nu1 h THR 3 N 0.00 0.00 -0.91 -5.08 1.35 -2.09 -2.35 112.91 103.83 1nu1 h THR 3 Ca 0.00 -0.38 0.22 0.00 -0.55 0.00 0.00 66.41 65.70 1nu1 h THR 3 Cb 0.00 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.60 1nu1 h THR 3 CO 0.00 0.00 0.61 -0.09 -0.25 0.00 0.00 175.52 175.79 1nu1 h ARG 4 N 0.00 0.30 -0.72 4.72 2.43 -2.06 -0.37 114.38 118.67 1nu1 h ARG 4 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1nu1 h ARG 4 Cb 0.46 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1nu1 h ARG 4 CO 0.00 0.20 0.06 1.19 -1.51 0.00 0.00 179.97 179.91 1nu1 n PHE 5 N -4.46 1.70 -3.69 2.20 3.01 -0.88 -4.79 117.46 110.54 1nu1 n PHE 5 Ca 0.20 -0.68 -0.36 0.00 1.01 0.00 0.00 57.45 57.62 1nu1 n PHE 5 Cb 0.78 -0.47 -0.08 0.00 -0.01 0.00 0.00 39.48 39.70 1nu1 n PHE 5 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1nu1 s LEU 6 N -2.17 5.34 0.18 4.37 1.43 -0.15 -4.78 118.68 122.91 1nu1 s LEU 6 Ca 0.42 -3.24 -0.24 0.00 -1.03 0.00 0.00 54.13 50.05 1nu1 s LEU 6 Cb 0.33 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1nu1 s LEU 6 CO 0.12 -0.28 0.97 -0.83 0.23 0.00 0.00 176.35 176.55 1nu1 s GLY 7 N 0.26 -0.10 0.06 -3.19 0.00 -1.26 -5.04 107.32 98.04 1nu1 s GLY 7 Ca 0.21 -0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 1nu1 s GLY 7 CO -0.07 0.60 1.19 -2.55 0.00 0.00 0.00 173.10 172.27 1nu1 h PRO 8 N 2.00 -0.01 -0.77 2.90 0.11 -2.00 -0.68 132.00 133.56 1nu1 h PRO 8 Ca -0.25 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.97 1nu1 h PRO 8 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1nu1 h PRO 8 CO 0.29 -0.01 -0.41 -0.09 -0.21 0.00 0.00 178.00 177.58 1nu1 h ARG 9 N -0.01 -0.11 -0.98 1.05 2.43 -1.98 0.75 114.38 115.54 1nu1 h ARG 9 Ca 0.05 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.43 1nu1 h ARG 9 Cb 0.15 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.63 1nu1 h ARG 9 CO -0.32 -0.07 0.61 1.88 -1.51 0.00 0.00 179.97 180.56 1nu1 h TYR 10 N -0.11 0.87 0.33 2.20 -1.99 -1.45 0.76 116.97 117.59 1nu1 h TYR 10 Ca 0.25 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.99 1nu1 h TYR 10 Cb 0.56 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1nu1 h TYR 10 CO -0.78 0.20 -0.16 -0.09 -0.00 0.00 0.00 178.16 177.33 1nu1 h ARG 11 N 0.63 -0.43 -0.43 4.88 2.43 -0.26 -1.99 114.38 119.21 1nu1 h ARG 11 Ca 0.54 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1nu1 h ARG 11 Cb 1.02 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1nu1 h ARG 11 CO -0.30 -0.24 0.27 1.96 -1.51 0.00 0.00 179.97 180.15 1nu1 h GLN 12 N -0.53 0.58 0.38 0.20 4.20 0.10 -0.02 115.11 120.02 1nu1 h GLN 12 Ca -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1nu1 h GLN 12 Cb 0.39 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1nu1 h GLN 12 CO 0.08 0.40 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.38 1nu1 h LEU 13 N 0.59 -0.43 -1.95 1.46 3.38 0.63 -1.82 115.31 117.18 1nu1 h LEU 13 Ca 0.16 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.39 1nu1 h LEU 13 Cb -0.04 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1nu1 h LEU 13 CO -0.03 -0.29 0.62 0.00 0.09 0.00 0.00 178.44 178.83 1nu1 h ALA 14 N -1.74 2.76 -0.13 1.53 0.00 -1.03 -0.70 119.26 119.95 1nu1 h ALA 14 Ca -0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nu1 h ALA 14 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nu1 h ALA 14 CO 0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 179.25 178.30 1nu1 h ARG 15 N 0.04 0.24 -0.88 0.00 3.08 -0.86 -2.61 114.38 113.39 1nu1 h ARG 15 Ca 0.42 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.39 1nu1 h ARG 15 Cb 1.61 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.60 1nu1 h ARG 15 CO -0.02 0.53 0.58 -0.91 -1.07 0.00 0.00 179.97 179.08 1nu1 h ASN 16 N -0.06 0.99 -0.17 7.04 -0.26 -0.26 -1.32 115.58 121.54 1nu1 h ASN 16 Ca 0.03 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1nu1 h ASN 16 Cb 0.44 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1nu1 h ASN 16 CO 0.01 0.71 0.00 0.79 -1.06 0.00 0.00 177.43 177.88 1nu1 n TRP 17 N -4.41 0.32 0.03 1.19 7.02 -0.87 -4.36 117.44 116.36 1nu1 n TRP 17 Ca 0.11 -0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.35 1nu1 n TRP 17 Cb 0.05 -0.06 -0.07 0.00 -2.42 0.00 0.00 31.31 28.80 1nu1 n TRP 17 CO 0.00 0.00 0.00 -0.24 -2.02 0.00 0.00 177.69 175.43 1nu1 h VAL 18 N 1.03 0.86 -0.90 -0.99 3.04 -0.84 -1.99 116.25 116.46 1nu1 h VAL 18 Ca 0.00 -1.24 0.11 0.00 -1.01 0.00 0.00 66.70 64.55 1nu1 h VAL 18 Cb 0.43 1.49 -0.07 0.00 -2.01 0.00 0.00 31.29 31.13 1nu1 h VAL 18 CO 0.04 0.24 0.58 -0.65 -1.01 0.00 0.00 177.57 176.76 1nu1 h PRO 19 N -0.89 0.83 0.73 4.17 0.11 -1.78 0.18 132.00 135.35 1nu1 h PRO 19 Ca -0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1nu1 h PRO 19 Cb 0.53 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.46 1nu1 h PRO 19 CO 0.03 0.55 -0.35 1.15 -0.21 0.00 0.00 178.00 179.17 1nu1 h THR 20 N 0.86 0.06 -0.92 -1.15 2.02 -1.82 -1.30 112.91 110.65 1nu1 h THR 20 Ca 0.43 -0.26 0.25 0.00 0.77 0.00 0.00 66.41 67.60 1nu1 h THR 20 Cb 0.47 0.08 -0.14 0.00 -1.74 0.00 0.00 68.15 66.83 1nu1 h THR 20 CO -0.19 0.01 0.40 0.00 0.37 0.00 0.00 175.52 176.11 1nu1 h ALA 21 N -1.18 1.53 0.40 6.16 0.00 -0.50 0.14 119.26 125.81 1nu1 h ALA 21 Ca -0.10 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nu1 h ALA 21 Cb 0.77 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1nu1 h ALA 21 CO 0.17 -0.43 -0.40 0.37 0.00 0.00 0.00 179.25 178.96 1nu1 h GLN 22 N 0.34 -0.76 -0.86 0.00 4.15 -0.59 -3.01 115.11 114.38 1nu1 h GLN 22 Ca 0.60 0.05 0.20 0.00 0.77 0.00 0.00 58.65 60.28 1nu1 h GLN 22 Cb 1.23 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 29.03 1nu1 h GLN 22 CO -0.58 -0.51 0.58 -0.07 -1.93 0.00 0.00 178.83 176.32 1nu1 h LEU 23 N -0.79 0.31 -1.40 -2.39 4.07 0.44 0.35 115.31 115.90 1nu1 h LEU 23 Ca -0.05 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1nu1 h LEU 23 Cb 0.69 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.40 1nu1 h LEU 23 CO -0.05 0.13 0.00 -0.50 -1.08 0.00 0.00 178.44 176.94 1nu1 h TRP 24 N 0.31 0.00 0.02 1.13 -0.00 -1.14 0.56 115.95 116.82 1nu1 h TRP 24 Ca 0.44 0.00 -0.29 0.00 -0.00 0.00 0.00 58.89 59.03 1nu1 h TRP 24 Cb 1.22 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.34 1nu1 h TRP 24 CO -0.00 0.00 -1.68 0.78 -0.00 0.00 0.00 178.44 177.54 1nu1 h GLY 25 N 2.05 0.05 1.06 1.49 0.00 -0.84 -1.73 103.07 105.15 1nu1 h GLY 25 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1nu1 h GLY 25 CO 0.00 0.11 0.16 0.00 0.00 0.00 0.00 176.54 176.81 1nu1 h ALA 26 N 0.87 0.93 -0.12 3.60 0.00 -0.91 -1.22 119.26 122.41 1nu1 h ALA 26 Ca -0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1nu1 h ALA 26 Cb 2.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1nu1 h ALA 26 CO 0.09 0.66 -0.05 0.28 0.00 0.00 0.00 179.25 180.23 1nu1 h VAL 27 N 1.07 1.31 -0.69 0.00 2.07 -1.01 -3.21 116.25 115.79 1nu1 h VAL 27 Ca 0.22 -1.05 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1nu1 h VAL 27 Cb 0.39 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1nu1 h VAL 27 CO 0.00 0.30 0.46 1.23 0.02 0.00 0.00 177.57 179.58 1nu1 h GLY 28 N -0.10 0.65 0.00 2.17 0.00 -0.89 -2.15 103.07 102.75 1nu1 h GLY 28 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1nu1 h GLY 28 CO 0.02 0.08 -0.30 0.00 0.00 0.00 0.00 176.54 176.34 1nu1 h ALA 29 N 1.67 0.02 -1.26 3.60 0.00 -1.32 -3.11 119.26 118.85 1nu1 h ALA 29 Ca 0.33 -0.34 0.38 0.00 0.00 0.00 0.00 54.91 55.28 1nu1 h ALA 29 Cb 0.70 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1nu1 h ALA 29 CO -0.10 0.26 0.83 0.28 0.00 0.00 0.00 179.25 180.53 1nu1 h VAL 30 N -1.00 0.28 -0.30 0.00 2.07 -1.59 0.72 116.25 116.42 1nu1 h VAL 30 Ca -0.03 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1nu1 h VAL 30 Cb 0.38 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1nu1 h VAL 30 CO -0.02 0.03 -0.00 1.23 0.02 0.00 0.00 177.57 178.83 1nu1 h GLY 31 N 0.17 0.58 0.70 2.17 0.00 -1.49 -1.53 103.07 103.66 1nu1 h GLY 31 Ca 0.72 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1nu1 h GLY 31 CO -0.29 0.39 -0.12 -2.00 0.00 0.00 0.00 176.54 174.52 1nu1 h LEU 32 N 0.33 0.31 -0.43 3.11 5.85 0.29 -2.29 115.31 122.49 1nu1 h LEU 32 Ca 0.09 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.36 1nu1 h LEU 32 Cb 0.44 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 1nu1 h LEU 32 CO 0.02 0.73 -0.50 0.58 -0.34 0.00 0.00 178.44 178.93 1nu1 h VAL 33 N -0.11 0.00 -0.09 1.05 2.07 -0.37 -2.00 116.25 116.79 1nu1 h VAL 33 Ca 0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1nu1 h VAL 33 Cb 0.65 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1nu1 h VAL 33 CO 0.03 0.00 -0.28 -0.25 0.02 0.00 0.00 177.57 177.09 1nu1 h TRP 34 N -0.31 0.18 0.00 1.57 7.01 -1.35 0.69 115.95 123.74 1nu1 h TRP 34 Ca 0.07 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1nu1 h TRP 34 Cb 0.51 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1nu1 h TRP 34 CO -0.75 0.43 0.00 0.00 -2.79 0.00 0.00 178.44 175.33 1nu1 n ALA 35 N -2.48 2.26 -0.00 2.65 0.00 -0.86 -3.37 120.51 118.70 1nu1 n ALA 35 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nu1 n ALA 35 Cb 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1nu1 n ALA 35 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1nu1 n THR 36 N -2.11 0.81 -3.99 0.00 -2.24 -0.79 -5.01 114.28 100.95 1nu1 n THR 36 Ca 0.06 -0.91 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 1nu1 n THR 36 Cb 0.40 0.60 0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1nu1 n THR 36 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nu1 n ASP 37 N -0.37 -4.41 -4.57 3.42 8.00 0.10 -4.62 116.55 114.11 1nu1 n ASP 37 Ca 0.00 -1.23 -0.40 0.00 0.71 0.00 0.00 54.79 53.88 1nu1 n ASP 37 Cb 0.21 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.12 39.32 1nu1 n ASP 37 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1nu1 n TRP 38 N -4.76 1.64 -0.04 1.24 -0.00 -0.42 -4.85 117.44 110.25 1nu1 n TRP 38 Ca -0.12 0.03 -0.05 0.00 -0.00 0.00 0.00 57.50 57.36 1nu1 n TRP 38 Cb 0.57 -2.67 -0.03 0.00 -0.00 0.00 0.00 31.31 29.18 1nu1 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1nu1 h ARG 39 N 17.40 -0.14 -0.91 5.87 3.08 -1.92 0.42 114.38 138.18 1nu1 h ARG 39 Ca -0.31 0.01 0.24 0.00 0.07 0.00 0.00 59.98 59.99 1nu1 h ARG 39 Cb 1.26 0.03 -0.16 0.00 0.08 0.00 0.00 29.97 31.18 1nu1 h ARG 39 CO 1.08 -0.09 0.06 1.25 -1.07 0.00 0.00 179.97 181.20 1nu1 h LEU 40 N -0.14 -0.36 0.00 3.04 5.85 -1.99 -3.19 115.31 118.51 1nu1 h LEU 40 Ca 0.02 0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.79 1nu1 h LEU 40 Cb 0.20 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1nu1 h LEU 40 CO -0.19 -0.28 -1.11 0.40 -0.34 0.00 0.00 178.44 176.92 1nu1 h ILE 41 N 0.07 0.93 -0.85 4.05 2.04 -1.77 -3.40 117.51 118.57 1nu1 h ILE 41 Ca 0.55 -2.12 0.18 0.00 1.00 0.00 0.00 64.86 64.47 1nu1 h ILE 41 Cb 1.10 2.18 -0.11 0.00 -0.74 0.00 0.00 36.82 39.25 1nu1 h ILE 41 CO -0.82 0.31 0.38 -0.07 0.00 0.00 0.00 178.15 177.96 1nu1 h LEU 42 N -1.00 0.36 -1.67 1.44 3.38 -0.17 -2.67 115.31 114.99 1nu1 h LEU 42 Ca -0.30 0.13 0.51 0.00 0.09 0.00 0.00 57.88 58.30 1nu1 h LEU 42 Cb 1.23 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.98 1nu1 h LEU 42 CO -0.18 0.08 1.16 0.47 0.09 0.00 0.00 178.44 180.07 1nu1 n ASP 43 N -4.99 0.07 0.08 -0.43 10.43 -1.21 0.44 116.55 120.95 1nu1 n ASP 43 Ca 0.19 1.06 -0.11 0.00 2.57 0.00 0.00 54.79 58.51 1nu1 n ASP 43 Cb 0.53 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 1nu1 n ASP 43 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1nu1 h TRP 44 N 0.00 0.40 -2.50 1.24 2.91 -1.76 -3.44 115.95 112.80 1nu1 h TRP 44 Ca 0.87 -0.22 -0.53 0.00 1.13 0.00 0.00 58.89 60.14 1nu1 h TRP 44 Cb 3.25 -0.04 0.04 0.00 -0.51 0.00 0.00 29.16 31.90 1nu1 h TRP 44 CO -0.00 1.05 1.14 0.08 -1.03 0.00 0.00 178.44 179.68 1nu1 s VAL 45 N -3.18 2.56 0.11 2.65 1.01 0.17 -4.90 120.40 118.82 1nu1 s VAL 45 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 1nu1 s VAL 45 Cb 0.09 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1nu1 s VAL 45 CO 0.84 -0.00 1.45 -0.65 0.00 0.00 0.00 175.10 176.74 1nu1 h PRO 46 N 8.92 -0.22 0.00 2.72 0.11 -1.85 -3.42 132.00 138.26 1nu1 h PRO 46 Ca -0.47 0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 1nu1 h PRO 46 Cb 1.22 0.05 0.06 0.00 0.11 0.00 0.00 31.00 32.44 1nu1 h PRO 46 CO 0.95 -0.15 0.13 0.98 -0.21 0.00 0.00 178.00 179.70 1nu1 n TYR 47 N -4.88 -3.61 -1.41 0.65 9.36 -1.26 -4.42 117.16 111.60 1nu1 n TYR 47 Ca -0.02 -0.67 -0.11 0.00 3.32 0.00 0.00 57.90 60.42 1nu1 n TYR 47 Cb 0.26 -0.41 -0.04 0.00 -0.63 0.00 0.00 39.34 38.52 1nu1 n TYR 47 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1nu1 n ILE 48 N -2.48 -0.05 -1.86 2.97 5.41 -1.26 -4.90 119.36 117.19 1nu1 n ILE 48 Ca 0.08 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.44 1nu1 n ILE 48 Cb 0.27 -1.34 0.03 0.00 -0.71 0.00 0.00 39.64 37.89 1nu1 n ILE 48 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1nu1 n ASN 49 N 0.18 7.43 -1.32 4.38 3.02 -1.26 -4.74 115.26 122.95 1nu1 n ASN 49 Ca -0.11 -3.77 -0.03 0.00 -0.03 0.00 0.00 54.58 50.63 1nu1 n ASN 49 Cb 0.39 -1.08 0.01 0.00 -0.61 0.00 0.00 39.78 38.49 1nu1 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nu1 n GLY 50 N -0.40 2.51 2.64 7.41 0.00 -1.26 -3.35 105.19 112.74 1nu1 n GLY 50 Ca 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 1nu1 n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nu1 n LYS 51 N 0.73 1.88 0.00 1.61 5.02 -1.26 -5.09 118.16 121.06 1nu1 n LYS 51 Ca 0.06 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.84 1nu1 n LYS 51 Cb 0.57 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1nu1 n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nu1 n PHE 52 N -0.56 0.00 0.00 2.13 -0.00 -1.21 -5.19 117.46 112.63 1nu1 n PHE 52 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1nu1 n PHE 52 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.32 1nu1 n PHE 52 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39