#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fh0 n GLU 37 N 0.00 -0.55 -1.73 1.61 -0.58 -1.26 -4.11 120.64 114.02 2fh0 n GLU 37 Ca 0.00 0.36 -0.35 0.00 -0.42 0.00 0.00 57.16 56.75 2fh0 n GLU 37 Cb 0.00 -0.67 0.05 0.00 -0.57 0.00 0.00 31.44 30.25 2fh0 n GLU 37 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2fh0 n ASN 38 N -3.05 7.13 0.08 1.62 6.94 -1.26 -4.69 115.26 122.03 2fh0 n ASN 38 Ca 0.00 -3.80 -0.12 0.00 -0.02 0.00 0.00 54.58 50.64 2fh0 n ASN 38 Cb 0.12 -0.91 -0.08 0.00 -2.36 0.00 0.00 39.78 36.55 2fh0 n ASN 38 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2fh0 h SER 39 N 2.47 -0.22 -5.58 0.53 4.64 -2.02 -3.49 113.55 109.88 2fh0 h SER 39 Ca 0.54 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 61.48 2fh0 h SER 39 Cb 0.57 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2fh0 h SER 39 CO 1.39 0.25 -0.30 0.00 -0.87 0.00 0.00 176.83 177.30 2fh0 n ALA 40 N -2.49 -2.64 0.15 5.18 0.00 -1.26 -4.93 120.51 114.51 2fh0 n ALA 40 Ca -0.09 0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 2fh0 n ALA 40 Cb 0.26 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 17.71 2fh0 n ALA 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2fh0 h PRO 41 N 0.76 -0.72 0.00 0.00 0.11 -1.95 -3.44 132.00 126.75 2fh0 h PRO 41 Ca -0.11 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2fh0 h PRO 41 Cb 1.07 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2fh0 h PRO 41 CO 0.29 -0.48 0.00 1.33 -0.21 0.00 0.00 178.00 178.92 2fh0 n VAL 42 N -5.49 0.00 0.57 3.15 0.24 -1.26 -4.96 118.33 110.57 2fh0 n VAL 42 Ca -0.08 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.30 2fh0 n VAL 42 Cb 0.41 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.67 2fh0 n VAL 42 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fh0 n GLY 43 N -1.48 -0.68 0.26 7.63 0.00 -1.26 -4.47 105.19 105.19 2fh0 n GLY 43 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 2fh0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fh0 h ALA 44 N 2.19 1.01 -0.90 4.61 0.00 -1.93 0.61 119.26 124.85 2fh0 h ALA 44 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2fh0 h ALA 44 Cb 0.53 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2fh0 h ALA 44 CO 0.00 0.59 0.51 0.00 0.00 0.00 0.00 179.25 180.35 2fh0 h ALA 45 N 1.20 1.15 0.00 0.00 0.00 -1.85 -2.73 119.26 117.04 2fh0 h ALA 45 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2fh0 h ALA 45 Cb 0.63 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2fh0 h ALA 45 CO 0.04 0.64 -1.10 -0.84 0.00 0.00 0.00 179.25 178.00 2fh0 h ILE 46 N 1.26 0.63 -0.13 0.00 -0.00 -1.79 -3.33 117.51 114.15 2fh0 h ILE 46 Ca 0.32 -2.06 -0.04 0.00 -0.00 0.00 0.00 64.86 63.07 2fh0 h ILE 46 Cb -0.00 2.16 -0.01 0.00 -0.00 0.00 0.00 36.82 38.97 2fh0 h ILE 46 CO -0.05 0.36 -0.11 0.00 -0.00 0.00 0.00 178.15 178.35 2fh0 h ALA 47 N 1.46 1.59 -0.00 0.16 0.00 -0.63 -1.52 119.26 120.32 2fh0 h ALA 47 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 47 Cb 1.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2fh0 h ALA 47 CO 0.05 0.30 -0.10 0.09 0.00 0.00 0.00 179.25 179.59 2fh0 n ASN 48 N -4.31 0.11 -2.04 0.00 3.02 -1.05 -3.59 115.26 107.40 2fh0 n ASN 48 Ca -0.01 0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.63 2fh0 n ASN 48 Cb 0.24 -0.34 0.14 0.00 -0.61 0.00 0.00 39.78 39.21 2fh0 n ASN 48 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2fh0 n PHE 49 N -1.48 2.56 -4.41 3.10 3.01 -0.57 -4.93 117.46 114.75 2fh0 n PHE 49 Ca 0.07 -1.76 -0.22 0.00 1.01 0.00 0.00 57.45 56.54 2fh0 n PHE 49 Cb 0.33 -0.89 -0.08 0.00 -0.01 0.00 0.00 39.48 38.83 2fh0 n PHE 49 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2fh0 s LEU 50 N -2.79 1.85 0.12 4.37 1.43 -1.24 -3.38 118.68 119.04 2fh0 s LEU 50 Ca 0.48 -1.68 0.05 0.00 -1.03 0.00 0.00 54.13 51.96 2fh0 s LEU 50 Cb 0.40 0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.73 2fh0 s LEU 50 CO 0.08 -0.96 0.02 -1.61 0.23 0.00 0.00 176.35 174.10 2fh0 s GLU 51 N -3.66 2.57 0.16 1.70 2.02 -1.21 -4.93 118.70 115.35 2fh0 s GLU 51 Ca 0.31 -0.89 -0.15 0.00 0.02 0.00 0.00 54.97 54.26 2fh0 s GLU 51 Cb 0.03 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.77 2fh0 s GLU 51 CO 0.19 0.52 1.78 -1.00 0.02 0.00 0.00 175.26 176.76 2fh0 h PRO 52 N 3.16 0.65 -0.31 0.39 0.13 -1.98 0.15 132.00 134.18 2fh0 h PRO 52 Ca -0.47 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.46 2fh0 h PRO 52 Cb 1.18 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2fh0 h PRO 52 CO 0.60 0.49 -0.30 1.96 -0.23 0.00 0.00 178.00 180.52 2fh0 h GLN 53 N 0.62 0.75 -0.53 0.86 4.20 -1.99 -2.98 115.11 116.05 2fh0 h GLN 53 Ca 0.17 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 2fh0 h GLN 53 Cb 0.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2fh0 h GLN 53 CO -0.03 1.01 0.01 0.00 -0.67 0.00 0.00 178.83 179.16 2fh0 h ALA 54 N 0.72 1.02 -0.45 3.87 0.00 -1.86 -2.86 119.26 119.71 2fh0 h ALA 54 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2fh0 h ALA 54 Cb 0.87 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2fh0 h ALA 54 CO 0.07 0.61 0.29 -0.07 0.00 0.00 0.00 179.25 180.15 2fh0 h LEU 55 N 0.83 0.48 -1.05 0.00 3.38 -0.67 -1.79 115.31 116.49 2fh0 h LEU 55 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2fh0 h LEU 55 Cb 0.48 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2fh0 h LEU 55 CO 0.02 0.35 0.64 -0.08 0.09 0.00 0.00 178.44 179.46 2fh0 h GLU 56 N 0.58 1.27 -0.38 1.13 4.81 -1.39 -2.41 114.58 118.18 2fh0 h GLU 56 Ca 0.17 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2fh0 h GLU 56 Cb -0.04 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2fh0 h GLU 56 CO -0.05 0.84 0.19 -0.09 -0.73 0.00 0.00 179.01 179.17 2fh0 h ARG 57 N 1.31 0.55 -0.76 1.92 1.12 -1.20 -2.53 114.38 114.78 2fh0 h ARG 57 Ca 0.36 -0.08 0.04 0.00 -1.11 0.00 0.00 59.98 59.19 2fh0 h ARG 57 Cb -0.14 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 29.68 2fh0 h ARG 57 CO -0.08 0.47 0.50 1.25 -3.11 0.00 0.00 179.97 179.00 2fh0 h LEU 58 N 0.48 0.79 -0.74 3.80 5.85 -0.91 -1.62 115.31 122.96 2fh0 h LEU 58 Ca 0.13 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2fh0 h LEU 58 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2fh0 h LEU 58 CO -0.02 0.54 0.15 0.28 -0.34 0.00 0.00 178.44 179.05 2fh0 h SER 59 N 0.91 1.05 -0.26 1.25 0.02 -1.08 -0.52 113.55 114.92 2fh0 h SER 59 Ca 0.31 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2fh0 h SER 59 Cb 0.08 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2fh0 h SER 59 CO -0.09 1.02 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.51 2fh0 h ARG 60 N 1.05 0.48 -0.60 3.45 2.43 -0.94 -2.83 114.38 117.42 2fh0 h ARG 60 Ca 0.21 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 2fh0 h ARG 60 Cb 0.39 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2fh0 h ARG 60 CO 0.01 0.67 -0.00 -0.24 -1.51 0.00 0.00 179.97 178.89 2fh0 h VAL 61 N 0.25 1.27 -0.21 0.20 3.04 -1.22 -2.82 116.25 116.75 2fh0 h VAL 61 Ca 0.07 -1.15 0.03 0.00 -1.01 0.00 0.00 66.70 64.64 2fh0 h VAL 61 Cb 0.47 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2fh0 h VAL 61 CO 0.02 0.42 0.14 0.00 -1.01 0.00 0.00 177.57 177.14 2fh0 h ALA 62 N 0.98 1.99 -0.73 3.17 0.00 -1.05 0.35 119.26 123.97 2fh0 h ALA 62 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2fh0 h ALA 62 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2fh0 h ALA 62 CO 0.03 -0.02 0.31 -0.07 0.00 0.00 0.00 179.25 179.50 2fh0 h LEU 63 N 0.17 0.98 0.00 0.00 3.38 -1.24 -2.53 115.31 116.07 2fh0 h LEU 63 Ca 0.09 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2fh0 h LEU 63 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2fh0 h LEU 63 CO -0.01 0.86 -1.08 0.58 0.09 0.00 0.00 178.44 178.87 2fh0 h VAL 64 N 1.05 0.98 -2.97 1.22 2.07 -1.39 -3.44 116.25 113.78 2fh0 h VAL 64 Ca 0.25 -2.15 -0.60 0.00 0.82 0.00 0.00 66.70 65.01 2fh0 h VAL 64 Cb 0.17 2.27 -0.40 0.00 -1.52 0.00 0.00 31.29 31.81 2fh0 h VAL 64 CO -0.03 0.33 -0.75 -0.13 0.02 0.00 0.00 177.57 177.01 2fh0 s ARG 65 N -2.34 1.11 0.45 1.57 1.81 0.12 -4.97 118.95 116.70 2fh0 s ARG 65 Ca -0.27 -1.78 0.11 0.00 -1.72 0.00 0.00 55.73 52.07 2fh0 s ARG 65 Cb 0.05 -2.17 1.02 0.00 -0.45 0.00 0.00 34.95 33.40 2fh0 s ARG 65 CO 0.59 -1.14 2.09 0.07 -0.68 0.00 0.00 175.30 176.23 2fh0 h ARG 66 N 6.99 0.32 -0.58 3.54 -0.00 -1.63 -2.48 114.38 120.53 2fh0 h ARG 66 Ca -0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 59.98 60.01 2fh0 h ARG 66 Cb 0.95 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.97 30.79 2fh0 h ARG 66 CO 0.45 0.22 0.26 0.22 -0.00 0.00 0.00 179.97 181.12 2fh0 h ASP 67 N 0.33 0.33 -0.08 0.08 3.58 -1.93 0.32 116.42 119.05 2fh0 h ASP 67 Ca 0.09 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2fh0 h ASP 67 Cb -0.02 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2fh0 h ASP 67 CO -0.02 0.21 0.02 0.03 -2.88 0.00 0.00 179.24 176.61 2fh0 h ARG 68 N 0.49 0.13 -0.40 0.28 3.08 -1.81 -2.56 114.38 113.59 2fh0 h ARG 68 Ca 0.28 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2fh0 h ARG 68 Cb 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2fh0 h ARG 68 CO -0.23 0.31 0.08 0.00 -1.07 0.00 0.00 179.97 179.07 2fh0 h ALA 69 N 0.81 1.40 -0.77 0.04 0.00 -1.35 -2.54 119.26 116.85 2fh0 h ALA 69 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2fh0 h ALA 69 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2fh0 h ALA 69 CO 0.00 0.43 0.38 0.37 0.00 0.00 0.00 179.25 180.44 2fh0 h GLN 70 N 0.58 1.10 -0.27 0.00 4.15 -0.22 -2.35 115.11 118.09 2fh0 h GLN 70 Ca 0.13 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 2fh0 h GLN 70 Cb 0.24 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2fh0 h GLN 70 CO -0.00 0.84 -0.21 0.00 -1.93 0.00 0.00 178.83 177.53 2fh0 h ALA 71 N 1.20 1.12 -0.12 3.38 0.00 -1.06 -0.74 119.26 123.05 2fh0 h ALA 71 Ca 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2fh0 h ALA 71 Cb 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2fh0 h ALA 71 CO -0.04 0.55 0.02 0.28 0.00 0.00 0.00 179.25 180.07 2fh0 h VAL 72 N 0.45 1.21 -0.39 0.00 2.07 -1.10 0.44 116.25 118.93 2fh0 h VAL 72 Ca 0.07 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 2fh0 h VAL 72 Cb 0.62 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2fh0 h VAL 72 CO 0.04 0.19 -0.24 -0.33 0.02 0.00 0.00 177.57 177.25 2fh0 h GLU 73 N -0.02 0.79 -0.03 1.57 4.39 -1.37 -2.58 114.58 117.34 2fh0 h GLU 73 Ca 0.04 -0.33 -0.16 0.00 0.34 0.00 0.00 59.36 59.24 2fh0 h GLU 73 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2fh0 h GLU 73 CO 0.00 0.95 -0.71 1.15 -1.16 0.00 0.00 179.01 179.24 2fh0 h THR 74 N 0.69 1.44 -0.33 1.13 2.02 -1.05 -3.01 112.91 113.80 2fh0 h THR 74 Ca 0.09 -2.27 -0.04 0.00 0.77 0.00 0.00 66.41 64.97 2fh0 h THR 74 Cb 0.76 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2fh0 h THR 74 CO 0.06 0.66 0.07 0.22 0.37 0.00 0.00 175.52 176.90 2fh0 h TYR 75 N 0.12 0.57 -0.37 3.16 5.03 0.05 -0.97 116.97 124.57 2fh0 h TYR 75 Ca -0.02 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2fh0 h TYR 75 Cb 1.26 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 2fh0 h TYR 75 CO 0.02 0.60 0.24 1.25 -1.32 0.00 0.00 178.16 178.95 2fh0 h LEU 76 N 0.38 0.42 -1.13 2.82 5.85 -1.47 -1.72 115.31 120.46 2fh0 h LEU 76 Ca 0.10 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2fh0 h LEU 76 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2fh0 h LEU 76 CO 0.00 0.31 -0.15 0.07 -0.34 0.00 0.00 178.44 178.34 2fh0 h LYS 77 N 0.50 0.43 -0.28 1.25 2.10 -1.46 -2.15 116.57 116.96 2fh0 h LYS 77 Ca 0.13 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2fh0 h LYS 77 Cb -0.05 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 2fh0 h LYS 77 CO -0.03 0.58 0.09 -0.22 -2.00 0.00 0.00 179.45 177.88 2fh0 h LYS 78 N 0.40 0.43 -0.22 0.07 3.64 -0.64 0.39 116.57 120.63 2fh0 h LYS 78 Ca 0.07 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2fh0 h LYS 78 Cb 0.50 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2fh0 h LYS 78 CO 0.03 0.48 0.06 -0.07 -2.27 0.00 0.00 179.45 177.68 2fh0 h LEU 79 N 0.29 0.33 -0.39 5.20 4.07 -1.16 0.20 115.31 123.85 2fh0 h LEU 79 Ca 0.09 -0.22 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 2fh0 h LEU 79 Cb 0.22 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2fh0 h LEU 79 CO -0.00 0.46 -0.14 0.40 -1.08 0.00 0.00 178.44 178.08 2fh0 h ILE 80 N 0.18 1.28 -0.27 1.22 2.04 -1.33 0.40 117.51 121.03 2fh0 h ILE 80 Ca 0.07 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 2fh0 h ILE 80 Cb 0.26 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2fh0 h ILE 80 CO -0.00 0.41 -0.17 0.00 0.00 0.00 0.00 178.15 178.39 2fh0 h ALA 81 N 0.82 1.21 0.04 1.87 0.00 -0.18 -3.31 119.26 119.71 2fh0 h ALA 81 Ca 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2fh0 h ALA 81 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2fh0 h ALA 81 CO 0.05 0.51 -0.02 1.15 0.00 0.00 0.00 179.25 180.94 2fh0 h THR 82 N 0.43 0.00 0.00 0.00 2.02 -0.84 -3.49 112.91 111.03 2fh0 h THR 82 Ca 0.08 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2fh0 h THR 82 Cb 0.55 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2fh0 h THR 82 CO 0.04 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.47 2fh0 n ASN 83 N -3.68 0.00 -4.55 4.18 6.94 0.12 -5.09 115.26 113.17 2fh0 n ASN 83 Ca -0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.24 2fh0 n ASN 83 Cb 0.02 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 2fh0 n ASN 83 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2fh0 n ASN 84 N 0.00 2.16 -2.76 0.53 3.02 0.12 -4.75 115.26 113.58 2fh0 n ASN 84 Ca 0.00 -0.70 -0.11 0.00 -0.03 0.00 0.00 54.58 53.74 2fh0 n ASN 84 Cb 0.00 -1.59 0.02 0.00 -0.61 0.00 0.00 39.78 37.60 2fh0 n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2fh0 n VAL 85 N 8.15 0.75 0.60 2.41 0.31 -1.26 -3.11 118.33 126.17 2fh0 n VAL 85 Ca 0.40 -3.31 0.06 0.00 -0.01 0.00 0.00 64.34 61.48 2fh0 n VAL 85 Cb 0.51 0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 33.91 2fh0 n VAL 85 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2fh0 n THR 86 N -0.00 0.00 -3.74 2.52 5.66 -1.26 -5.04 114.28 112.42 2fh0 n THR 86 Ca 0.12 -0.29 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 2fh0 n THR 86 Cb 0.79 1.09 -0.02 0.00 -1.55 0.00 0.00 70.33 70.64 2fh0 n THR 86 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2fh0 s HIS 87 N -1.90 -0.26 0.43 1.09 -3.43 -1.26 -5.19 115.29 104.77 2fh0 s HIS 87 Ca 0.08 -0.11 0.04 0.00 -0.80 0.00 0.00 55.06 54.27 2fh0 s HIS 87 Cb 0.10 0.66 0.04 0.00 -1.43 0.00 0.00 32.58 31.95 2fh0 s HIS 87 CO 0.42 -1.06 0.30 1.63 -2.00 0.00 0.00 174.74 174.03 2fh0 n LYS 88 N -0.43 0.86 -3.55 -0.38 4.01 -1.26 -5.09 118.16 112.31 2fh0 n LYS 88 Ca -0.07 -2.72 -0.41 0.00 -0.51 0.00 0.00 58.31 54.60 2fh0 n LYS 88 Cb 0.61 0.32 -0.10 0.00 -0.51 0.00 0.00 35.03 35.35 2fh0 n LYS 88 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2fh0 s ILE 89 N -2.17 4.61 0.60 -0.18 1.01 -1.22 -4.98 121.20 118.88 2fh0 s ILE 89 Ca 0.23 -1.08 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2fh0 s ILE 89 Cb -0.02 -3.69 0.11 0.00 0.01 0.00 0.00 42.46 38.87 2fh0 s ILE 89 CO 0.14 -0.40 0.83 0.35 0.00 0.00 0.00 174.94 175.87 2fh0 n THR 90 N 5.02 0.00 -0.19 2.92 -2.24 -1.26 -3.29 114.28 115.24 2fh0 n THR 90 Ca -0.11 -1.64 0.05 0.00 -2.27 0.00 0.00 64.05 60.07 2fh0 n THR 90 Cb 0.45 -0.72 0.33 0.00 -2.10 0.00 0.00 70.33 68.28 2fh0 n THR 90 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2fh0 h GLU 91 N 0.00 0.79 -0.28 -0.78 4.81 -1.92 0.30 114.58 117.48 2fh0 h GLU 91 Ca -0.28 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.78 2fh0 h GLU 91 Cb 1.15 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2fh0 h GLU 91 CO 0.35 0.52 -0.32 0.00 -0.73 0.00 0.00 179.01 178.83 2fh0 h ALA 92 N 1.59 0.42 -0.17 2.92 0.00 -2.00 -2.62 119.26 119.41 2fh0 h ALA 92 Ca 0.30 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 92 Cb 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2fh0 h ALA 92 CO -0.10 0.46 -0.56 0.93 0.00 0.00 0.00 179.25 179.98 2fh0 h GLU 93 N 0.46 0.68 -0.81 0.00 4.39 -1.77 -2.75 114.58 114.77 2fh0 h GLU 93 Ca 0.04 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 2fh0 h GLU 93 Cb 0.89 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2fh0 h GLU 93 CO 0.08 1.12 0.36 0.97 -1.16 0.00 0.00 179.01 180.38 2fh0 h ILE 94 N 0.37 1.26 -0.44 3.13 2.10 -0.50 0.64 117.51 124.07 2fh0 h ILE 94 Ca -0.02 -0.76 -0.10 0.00 1.08 0.00 0.00 64.86 65.06 2fh0 h ILE 94 Cb 1.19 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 2fh0 h ILE 94 CO 0.12 0.32 -0.10 1.62 -1.08 0.00 0.00 178.15 179.03 2fh0 h VAL 95 N 1.17 1.27 -0.27 2.19 3.04 -1.51 0.09 116.25 122.23 2fh0 h VAL 95 Ca 0.28 -1.21 -0.04 0.00 -1.01 0.00 0.00 66.70 64.72 2fh0 h VAL 95 Cb 0.16 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 2fh0 h VAL 95 CO -0.03 0.41 0.00 -1.28 -1.01 0.00 0.00 177.57 175.66 2fh0 h SER 96 N 0.67 0.47 -0.58 3.17 0.87 -1.20 -2.36 113.55 114.59 2fh0 h SER 96 Ca 0.11 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.26 2fh0 h SER 96 Cb 0.64 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2fh0 h SER 96 CO 0.04 0.66 -0.06 0.40 -0.53 0.00 0.00 176.83 177.34 2fh0 h ILE 97 N 0.26 1.27 -0.77 2.23 2.04 -0.85 -2.70 117.51 118.99 2fh0 h ILE 97 Ca 0.08 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.75 2fh0 h ILE 97 Cb 0.42 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2fh0 h ILE 97 CO 0.01 0.44 0.49 -0.07 0.00 0.00 0.00 178.15 179.02 2fh0 h LEU 98 N 0.96 0.80 -1.18 1.44 3.38 -0.91 0.99 115.31 120.80 2fh0 h LEU 98 Ca 0.16 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2fh0 h LEU 98 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2fh0 h LEU 98 CO 0.04 0.55 -0.01 -1.13 0.09 0.00 0.00 178.44 177.98 2fh0 h ASN 99 N 0.95 0.52 0.27 -0.43 -0.73 -1.27 -2.59 115.58 112.30 2fh0 h ASN 99 Ca 0.31 -0.10 -0.20 0.00 1.87 0.00 0.00 56.30 58.18 2fh0 h ASN 99 Cb 0.03 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.48 2fh0 h ASN 99 CO -0.12 0.60 -0.81 1.23 -0.37 0.00 0.00 177.43 177.96 2fh0 h GLY 100 N 0.86 0.47 0.67 1.57 0.00 -1.00 -2.92 103.07 102.73 2fh0 h GLY 100 Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 46.74 2fh0 h GLY 100 CO 0.01 0.64 -0.14 -2.22 0.00 0.00 0.00 176.54 174.84 2fh0 h ILE 101 N 0.27 0.66 -0.56 2.60 2.04 -0.46 0.60 117.51 122.66 2fh0 h ILE 101 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2fh0 h ILE 101 Cb 1.41 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2fh0 h ILE 101 CO 0.14 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.49 2fh0 h ALA 102 N 0.70 1.31 -0.01 1.87 0.00 -1.56 -2.47 119.26 119.10 2fh0 h ALA 102 Ca 0.04 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2fh0 h ALA 102 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2fh0 h ALA 102 CO -0.13 0.51 -0.73 -0.22 0.00 0.00 0.00 179.25 178.68 2fh0 h LYS 103 N 0.80 0.07 -0.96 0.00 3.64 -1.22 -3.22 116.57 115.68 2fh0 h LYS 103 Ca 0.19 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2fh0 h LYS 103 Cb 0.19 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 2fh0 h LYS 103 CO -0.01 0.77 0.61 1.96 -2.27 0.00 0.00 179.45 180.51 2fh0 h GLN 104 N 0.04 1.08 -3.82 1.90 4.20 0.69 -3.21 115.11 115.99 2fh0 h GLN 104 Ca -0.01 -0.06 -0.73 0.00 0.06 0.00 0.00 58.65 57.90 2fh0 h GLN 104 Cb 1.29 -0.24 -0.09 0.00 0.30 0.00 0.00 27.48 28.74 2fh0 h GLN 104 CO 0.10 0.71 2.65 0.00 -0.67 0.00 0.00 178.83 181.62 2fh0 n GLN 105 N -4.54 3.18 -2.82 1.46 10.64 -1.19 -4.60 117.38 119.52 2fh0 n GLN 105 Ca 0.15 -3.00 -0.15 0.00 -1.83 0.00 0.00 57.00 52.17 2fh0 n GLN 105 Cb 0.19 -3.14 0.00 0.00 -0.86 0.00 0.00 30.24 26.43 2fh0 n GLN 105 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2fh0 n ASN 106 N 5.19 1.76 -3.16 2.61 5.15 -1.21 -5.00 115.26 120.60 2fh0 n ASN 106 Ca 0.47 -2.96 -0.08 0.00 -0.60 0.00 0.00 54.58 51.41 2fh0 n ASN 106 Cb 0.38 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 2fh0 n ASN 106 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2fh0 n SER 107 N -0.01 -7.23 -3.62 1.20 7.64 -1.26 -5.05 113.62 105.29 2fh0 n SER 107 Ca 0.18 -0.08 -0.15 0.00 1.01 0.00 0.00 58.87 59.84 2fh0 n SER 107 Cb 0.73 -4.53 -0.07 0.00 -1.01 0.00 0.00 64.21 59.33 2fh0 n SER 107 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2fh0 s GLN 108 N -3.18 0.85 -0.16 1.43 0.74 -1.26 -5.06 119.66 113.02 2fh0 s GLN 108 Ca 0.08 0.81 0.13 0.00 0.05 0.00 0.00 55.36 56.43 2fh0 s GLN 108 Cb -0.02 0.41 0.30 0.00 1.10 0.00 0.00 33.01 34.80 2fh0 s GLN 108 CO 0.79 -0.14 1.23 0.09 -0.55 0.00 0.00 175.29 176.71 2fh0 n ASN 109 N 2.36 -0.39 -4.12 6.67 3.02 -1.26 -5.01 115.26 116.53 2fh0 n ASN 109 Ca -0.15 -2.08 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 2fh0 n ASN 109 Cb 0.56 0.20 -0.16 0.00 -0.61 0.00 0.00 39.78 39.77 2fh0 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2fh0 s ASN 110 N -1.69 3.47 0.19 6.41 -0.87 -1.26 -4.92 114.94 116.27 2fh0 s ASN 110 Ca 0.13 -0.79 0.00 0.00 -1.57 0.00 0.00 52.86 50.64 2fh0 s ASN 110 Cb 0.27 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.99 2fh0 s ASN 110 CO -0.08 -0.04 0.00 -1.54 -2.57 0.00 0.00 177.10 172.87 2fh0 n SER 111 N 4.59 0.07 -0.05 -1.22 3.41 -1.26 -4.93 113.62 114.23 2fh0 n SER 111 Ca -0.19 0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.74 2fh0 n SER 111 Cb 0.48 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 2fh0 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fh0 n LYS 112 N -3.27 0.58 -1.32 4.33 5.02 -1.26 -4.68 118.16 117.56 2fh0 n LYS 112 Ca 0.00 -0.48 -0.32 0.00 -2.02 0.00 0.00 58.31 55.49 2fh0 n LYS 112 Cb 0.03 -0.94 0.10 0.00 -0.02 0.00 0.00 35.03 34.20 2fh0 n LYS 112 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2fh0 n ILE 113 N -0.12 3.49 -1.21 -0.18 5.41 -1.26 -4.38 119.36 121.10 2fh0 n ILE 113 Ca 0.01 -2.75 0.05 0.00 1.00 0.00 0.00 62.75 61.06 2fh0 n ILE 113 Cb 0.03 -0.99 0.20 0.00 -0.71 0.00 0.00 39.64 38.17 2fh0 n ILE 113 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2fh0 n ILE 114 N -0.97 2.23 -0.46 1.39 -0.00 -1.26 -4.54 119.36 115.75 2fh0 n ILE 114 Ca 0.61 -2.39 0.05 0.00 -0.00 0.00 0.00 62.75 61.03 2fh0 n ILE 114 Cb 0.90 -0.27 0.13 0.00 -0.00 0.00 0.00 39.64 40.41 2fh0 n ILE 114 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 2fh0 n PHE 115 N -1.02 0.36 -0.51 1.39 7.35 -1.26 -5.16 117.46 118.62 2fh0 n PHE 115 Ca 0.22 -0.67 0.00 0.00 -0.76 0.00 0.00 57.45 56.24 2fh0 n PHE 115 Cb 0.83 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.54 2fh0 n PHE 115 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09