#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whf n ASN 2 N 0.00 -7.57 0.00 0.00 4.13 -1.26 -5.01 115.26 105.55 1whf n ASN 2 Ca 0.00 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.59 1whf n ASN 2 Cb 0.00 -5.12 0.00 0.00 -1.54 0.00 0.00 39.78 33.12 1whf n ASN 2 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1whf n SER 3 N -0.75 0.00 0.29 6.41 3.41 -1.26 -4.94 113.62 116.78 1whf n SER 3 Ca 0.08 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.85 1whf n SER 3 Cb 0.45 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.31 1whf n SER 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1whf h PHE 4 N 0.00 0.00 -2.32 7.33 3.04 -2.02 -3.48 116.94 119.50 1whf h PHE 4 Ca 0.00 0.00 -0.53 0.00 3.98 0.00 0.00 57.97 61.42 1whf h PHE 4 Cb 0.00 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 1whf h PHE 4 CO 0.00 0.05 1.32 -0.51 -2.02 0.00 0.00 178.31 177.15 1whf s LEU 5 N -6.88 3.40 -0.30 0.59 1.02 -1.26 -4.65 118.68 110.60 1whf s LEU 5 Ca -0.03 0.81 -0.09 0.00 0.02 0.00 0.00 54.13 54.83 1whf s LEU 5 Cb 0.13 -2.99 0.18 0.00 0.02 0.00 0.00 46.19 43.53 1whf s LEU 5 CO 0.52 -2.07 0.98 0.68 0.02 0.00 0.00 176.35 176.48 1whf s VAL 8 N 8.13 -0.39 -0.98 -1.59 -7.23 -1.26 -5.04 120.40 112.04 1whf s VAL 8 Ca 0.74 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.65 1whf s VAL 8 Cb -0.17 -0.62 -0.15 0.00 0.56 0.00 0.00 36.38 36.00 1whf s VAL 8 CO 0.27 0.00 2.15 -0.54 -0.31 0.00 0.00 175.10 176.67 1whf s LYS 9 N 2.94 1.75 0.52 4.82 1.02 -1.26 -4.64 119.74 124.89 1whf s LYS 9 Ca 0.16 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1whf s LYS 9 Cb -0.06 -4.98 0.00 0.00 -0.52 0.00 0.00 37.83 32.27 1whf s LYS 9 CO -0.19 -4.58 0.00 0.94 -0.92 0.00 0.00 175.35 170.60 1whf n GLN 10 N 8.50 -2.85 -1.46 1.68 7.27 -1.26 -4.88 117.38 124.38 1whf n GLN 10 Ca 0.43 2.32 -0.03 0.00 0.07 0.00 0.00 57.00 59.80 1whf n GLN 10 Cb 0.46 -3.34 0.00 0.00 2.41 0.00 0.00 30.24 29.77 1whf n GLN 10 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1whf n GLY 11 N -3.92 2.38 0.00 1.69 0.00 -1.26 -4.84 105.19 99.24 1whf n GLY 11 Ca -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1whf n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1whf n ASN 12 N -2.53 0.00 0.00 1.61 5.15 -1.26 -5.00 115.26 113.23 1whf n ASN 12 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1whf n ASN 12 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1whf n ASN 12 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1whf n LEU 13 N 0.00 0.00 -0.52 1.20 4.77 -1.26 -4.75 117.00 116.43 1whf n LEU 13 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1whf n LEU 13 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1whf n LEU 13 CO 0.00 0.00 -0.02 0.54 -1.33 0.00 0.00 177.39 176.58 1whf n ARG 15 N 0.00 -1.59 0.00 3.23 1.74 -1.26 -4.63 116.66 114.15 1whf n ARG 15 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1whf n ARG 15 Cb 0.00 -3.68 0.00 0.00 -1.02 0.00 0.00 32.46 27.76 1whf n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1whf n LEU 18 N 0.00 0.00 0.00 0.00 7.94 -1.26 -3.59 117.00 120.09 1whf n LEU 18 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1whf n LEU 18 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1whf n LEU 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1whf n ALA 21 N -0.15 0.00 -2.96 1.96 0.00 -1.26 -4.99 120.51 113.12 1whf n ALA 21 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1whf n ALA 21 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1whf n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whf n SER 23 N -0.33 3.65 -1.41 0.00 7.64 -1.26 -4.80 113.62 117.11 1whf n SER 23 Ca -0.03 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1whf n SER 23 Cb 0.63 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1whf n SER 23 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1whf n LEU 24 N 0.19 -1.87 -0.53 -3.43 -0.00 -1.26 -5.11 117.00 104.98 1whf n LEU 24 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1whf n LEU 24 Cb 0.77 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 1whf n LEU 24 CO 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.56 1whf n ALA 27 N -0.35 -0.25 -2.37 1.96 0.00 -1.26 -5.03 120.51 113.21 1whf n ALA 27 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1whf n ALA 27 Cb 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 19.45 19.35 1whf n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1whf n ARG 28 N -0.49 0.75 0.00 0.00 1.85 -1.26 -5.01 116.66 112.49 1whf n ARG 28 Ca 0.00 -1.16 0.00 0.00 -1.00 0.00 0.00 57.85 55.69 1whf n ARG 28 Cb 0.18 0.42 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1whf n ARG 28 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1whf n VAL 30 N -0.82 0.00 0.00 8.89 0.31 -1.26 -5.18 118.33 120.27 1whf n VAL 30 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1whf n VAL 30 Cb 0.80 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.73 1whf n VAL 30 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1whf n PHE 31 N 0.00 0.00 -1.63 3.52 -1.74 -1.26 -4.85 117.46 111.50 1whf n PHE 31 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1whf n PHE 31 Cb 0.00 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.00 1whf n PHE 31 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1whf n ASP 33 N 0.00 -2.60 -0.69 5.98 8.00 -1.26 -4.92 116.55 121.06 1whf n ASP 33 Ca 0.00 0.16 -0.00 0.00 0.71 0.00 0.00 54.79 55.66 1whf n ASP 33 Cb 0.00 -1.48 0.01 0.00 -0.02 0.00 0.00 41.12 39.62 1whf n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1whf n ALA 34 N 0.09 2.54 0.00 2.24 0.00 -1.26 -1.65 120.51 122.47 1whf n ALA 34 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1whf n ALA 34 Cb 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1whf n ALA 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1whf n GLN 36 N 0.16 0.00 -0.30 0.00 6.02 -1.26 -3.72 117.38 118.29 1whf n GLN 36 Ca 0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1whf n GLN 36 Cb 0.35 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.53 1whf n GLN 36 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1whf h THR 37 N 0.00 0.01 -0.07 5.09 1.35 -1.67 0.62 112.91 118.24 1whf h THR 37 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1whf h THR 37 Cb 0.00 0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.43 1whf h THR 37 CO 0.00 0.00 0.01 -0.67 -0.25 0.00 0.00 175.52 174.61 1whf n ASP 38 N -5.32 1.66 0.00 5.36 2.03 -1.24 -3.35 116.55 115.68 1whf n ASP 38 Ca 0.01 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.21 1whf n ASP 38 Cb 0.31 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1whf n ASP 38 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1whf n PHE 40 N 0.09 0.00 -1.96 -0.67 7.35 0.21 -4.03 117.46 118.45 1whf n PHE 40 Ca 0.03 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.44 1whf n PHE 40 Cb 0.38 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.32 1whf n PHE 40 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1whf s TRP 41 N 0.00 2.60 0.00 -5.13 0.23 -1.21 -2.67 118.94 112.76 1whf s TRP 41 Ca 0.00 0.59 0.00 0.00 -2.03 0.00 0.00 56.10 54.66 1whf s TRP 41 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 33.47 29.91 1whf s TRP 41 CO 0.00 -1.93 0.00 0.43 0.96 0.00 0.00 176.95 176.41 1whf n SER 42 N -3.36 0.00 -1.31 2.95 7.64 -1.26 -3.90 113.62 114.38 1whf n SER 42 Ca 0.10 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.08 1whf n SER 42 Cb 0.61 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 64.12 1whf n SER 42 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1whf n LYS 43 N 0.00 2.95 0.00 1.43 2.85 -1.26 -4.59 118.16 119.54 1whf n LYS 43 Ca 0.00 -2.64 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 1whf n LYS 43 Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1whf n LYS 43 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1whf n TYR 44 N 1.39 0.00 -1.57 5.58 4.19 -1.09 -4.59 117.16 121.07 1whf n TYR 44 Ca 0.23 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.44 1whf n TYR 44 Cb 0.66 -0.19 0.00 0.00 0.49 0.00 0.00 39.34 40.30 1whf n TYR 44 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1whf n LYS 45 N -1.17 -0.51 0.00 2.98 5.02 -1.26 -4.34 118.16 118.87 1whf n LYS 45 Ca 0.00 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1whf n LYS 45 Cb 0.00 0.26 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1whf n ASP 46 N 0.32 0.00 0.00 4.39 -0.08 -1.26 -5.01 116.55 114.91 1whf n ASP 46 Ca 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 1whf n ASP 46 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1whf n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whf n GLY 47 N 0.00 1.88 0.00 0.27 0.00 -1.26 -3.39 105.19 102.69 1whf n GLY 47 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1whf n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whf n ASP 48 N 2.54 0.00 0.00 1.61 5.75 -1.26 -4.73 116.55 120.46 1whf n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1whf n ASP 48 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1whf n GLN 49 N 0.00 0.00 -0.01 0.11 6.02 -1.22 -4.12 117.38 118.16 1whf n GLN 49 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1whf n GLN 49 Cb 0.00 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 29.63 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1whf n GLU 51 N -2.34 1.23 0.00 0.00 2.13 -1.26 -2.70 120.64 117.69 1whf n GLU 51 Ca -0.07 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.22 1whf n GLU 51 Cb 0.63 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1whf n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whf n GLY 52 N 0.95 3.21 2.46 8.31 0.00 -1.26 -4.55 105.19 114.31 1whf n GLY 52 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1whf n GLY 52 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1whf n HIS 53 N -1.38 -1.36 -0.13 1.61 -0.00 -1.10 -4.91 115.22 107.96 1whf n HIS 53 Ca 0.00 0.49 0.09 0.00 0.46 0.00 0.00 57.72 58.76 1whf n HIS 53 Cb 0.00 -3.47 0.42 0.00 -0.12 0.00 0.00 29.99 26.82 1whf n HIS 53 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1whf h PRO 54 N -0.69 0.58 -7.41 1.57 0.11 -1.80 -3.42 132.00 120.95 1whf h PRO 54 Ca -0.34 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.24 1whf h PRO 54 Cb 1.18 -0.13 0.11 0.00 0.11 0.00 0.00 31.00 32.26 1whf h PRO 54 CO 0.25 0.38 0.34 0.00 -0.21 0.00 0.00 178.00 178.77 1whf n LEU 56 N -3.37 0.00 -3.89 0.00 4.77 0.21 -4.79 117.00 109.93 1whf n LEU 56 Ca 0.07 -1.65 -0.36 0.00 -0.03 0.00 0.00 56.01 54.04 1whf n LEU 56 Cb 0.56 1.21 0.02 0.00 -2.33 0.00 0.00 43.42 42.87 1whf n LEU 56 CO 0.56 -0.33 -0.16 0.59 -1.33 0.00 0.00 177.39 176.72 1whf n ASN 57 N -2.03 -4.69 -2.86 -1.43 5.03 -1.25 0.81 115.26 108.84 1whf n ASN 57 Ca 0.02 -1.11 -0.17 0.00 0.87 0.00 0.00 54.58 54.19 1whf n ASN 57 Cb 0.33 -2.06 -0.00 0.00 -1.02 0.00 0.00 39.78 37.03 1whf n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1whf n GLN 58 N -4.03 -2.96 -2.87 3.52 1.13 -1.26 -4.64 117.38 106.27 1whf n GLN 58 Ca -0.17 0.58 -0.40 0.00 -1.94 0.00 0.00 57.00 55.07 1whf n GLN 58 Cb 0.61 -5.25 -0.06 0.00 0.11 0.00 0.00 30.24 25.65 1whf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1whf s GLY 59 N -2.36 3.00 0.43 1.08 0.00 0.24 -4.53 107.32 105.17 1whf s GLY 59 Ca 0.18 0.48 -0.21 0.00 0.00 0.00 0.00 44.72 45.17 1whf s GLY 59 CO 0.23 1.05 0.95 0.30 0.00 0.00 0.00 173.10 175.63 1whf s HIS 60 N -1.03 3.32 -0.16 1.90 0.09 -0.80 -4.55 115.29 114.06 1whf s HIS 60 Ca 0.39 1.62 -0.00 0.00 -0.00 0.00 0.00 55.06 57.06 1whf s HIS 60 Cb -0.24 -2.86 -0.00 0.00 -0.00 0.00 0.00 32.58 29.47 1whf s HIS 60 CO 0.29 -0.13 -0.15 0.00 -0.00 0.00 0.00 174.74 174.75 1whf n LYS 62 N 4.14 1.23 0.00 0.00 5.02 0.14 -4.91 118.16 123.77 1whf n LYS 62 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1whf n LYS 62 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1whf n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1whf n GLY 64 N 5.00 0.10 0.00 0.72 0.00 -0.98 -3.28 105.19 106.75 1whf n GLY 64 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1whf n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whf n ILE 65 N 0.00 0.00 -0.30 -0.61 -6.64 -1.26 -1.48 119.36 109.07 1whf n ILE 65 Ca 0.00 0.00 0.25 0.00 -1.77 0.00 0.00 62.75 61.23 1whf n ILE 65 Cb 0.00 0.00 0.43 0.00 -1.44 0.00 0.00 39.64 38.63 1whf n ILE 65 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1whf n GLY 66 N 0.00 -0.53 0.00 3.28 0.00 -1.26 -4.68 105.19 102.00 1whf n GLY 66 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1whf n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whf n ASP 67 N -3.99 0.00 -3.07 1.61 5.75 -0.55 -5.10 116.55 111.20 1whf n ASP 67 Ca 0.26 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.87 1whf n ASP 67 Cb 0.99 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 41.03 1whf n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1whf n TYR 68 N 1.87 0.05 -3.41 2.11 4.11 -1.26 -2.31 117.16 118.32 1whf n TYR 68 Ca 0.00 -1.79 -0.13 0.00 -0.00 0.00 0.00 57.90 55.98 1whf n TYR 68 Cb 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 39.34 39.25 1whf n TYR 68 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1whf s THR 69 N -2.61 -0.48 0.38 -3.48 -4.23 -1.21 -4.93 115.64 99.09 1whf s THR 69 Ca 0.15 -0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1whf s THR 69 Cb 0.01 -0.76 0.08 0.00 1.34 0.00 0.00 72.50 73.17 1whf s THR 69 CO 0.11 -0.17 0.52 0.00 -0.54 0.00 0.00 174.62 174.53 1whf s THR 71 N -1.86 0.00 -0.13 0.00 2.01 -0.50 -4.82 115.64 110.34 1whf s THR 71 Ca 0.31 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 1whf s THR 71 Cb -0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1whf s THR 71 CO 0.21 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.15 1whf n ALA 73 N 2.92 -2.27 -2.60 0.00 0.00 -1.26 -4.81 120.51 112.49 1whf n ALA 73 Ca -0.18 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1whf n ALA 73 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1whf n ALA 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1whf s GLU 74 N -4.19 3.25 0.00 0.00 2.12 -1.26 -2.48 118.70 116.15 1whf s GLU 74 Ca 0.36 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.46 1whf s GLU 74 Cb -0.05 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1whf s GLU 74 CO 0.29 -1.97 0.00 0.41 -0.54 0.00 0.00 175.26 173.45 1whf n GLY 75 N 5.29 1.79 3.69 -1.50 0.00 -1.26 -4.83 105.19 108.38 1whf n GLY 75 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1whf n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whf s PHE 76 N -1.97 2.65 0.27 1.61 0.40 -1.03 0.58 117.98 120.49 1whf s PHE 76 Ca 0.00 -0.38 -0.21 0.00 -0.60 0.00 0.00 56.93 55.74 1whf s PHE 76 Cb 0.00 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1whf s PHE 76 CO 0.00 0.42 0.74 -1.21 0.70 0.00 0.00 175.22 175.87 1whf s GLU 77 N -3.78 1.75 0.00 0.44 0.41 0.42 -4.76 118.70 113.18 1whf s GLU 77 Ca 0.36 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 1whf s GLU 77 Cb -0.02 0.59 0.00 0.00 -1.78 0.00 0.00 34.13 32.92 1whf s GLU 77 CO 0.21 -0.80 0.00 0.41 -0.49 0.00 0.00 175.26 174.59 1whf n GLY 78 N -0.46 0.64 0.43 -1.39 0.00 -1.26 -0.46 105.19 102.69 1whf n GLY 78 Ca -0.04 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.82 1whf n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1whf h LYS 79 N 0.00 -1.02 -0.90 1.61 3.11 -2.00 -2.76 116.57 114.61 1whf h LYS 79 Ca 0.00 0.07 -0.36 0.00 -2.81 0.00 0.00 60.65 57.55 1whf h LYS 79 Cb 0.00 0.23 -0.22 0.00 -1.00 0.00 0.00 32.23 31.25 1whf h LYS 79 CO 0.00 -0.68 0.46 0.09 -2.81 0.00 0.00 179.45 176.51 1whf n ASN 80 N -5.54 4.14 0.00 4.20 3.02 -1.26 -4.83 115.26 114.98 1whf n ASN 80 Ca -0.15 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1whf n ASN 80 Cb 0.42 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1whf n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whf n GLU 82 N -1.49 -0.06 -2.58 0.00 2.13 -0.54 -3.19 120.64 114.90 1whf n GLU 82 Ca 0.00 1.20 -0.42 0.00 0.66 0.00 0.00 57.16 58.60 1whf n GLU 82 Cb 0.16 -1.97 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 1whf n GLU 82 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1whf s PHE 83 N -5.61 2.64 -0.90 4.31 0.08 0.40 -4.82 117.98 114.08 1whf s PHE 83 Ca -0.10 -1.12 -0.24 0.00 0.12 0.00 0.00 56.93 55.59 1whf s PHE 83 Cb 0.25 -4.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.00 1whf s PHE 83 CO 0.64 -1.88 1.68 -1.54 -0.10 0.00 0.00 175.22 174.02 1whf s SER 84 N 4.67 5.77 0.23 1.36 1.04 -1.19 -0.44 113.70 125.14 1whf s SER 84 Ca 0.48 -0.83 0.24 0.00 0.48 0.00 0.00 55.95 56.32 1whf s SER 84 Cb 0.01 -2.56 0.93 0.00 0.10 0.00 0.00 66.02 64.50 1whf s SER 84 CO -0.04 -2.15 1.72 0.35 0.98 0.00 0.00 173.24 174.10 1whf n THR 85 N 7.28 0.76 0.00 2.02 -2.24 0.20 -4.96 114.28 117.33 1whf n THR 85 Ca 0.31 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1whf n THR 85 Cb 0.49 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 1whf n THR 85 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39