#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 -0.95 -4.80 0.00 0.23 -1.26 -5.17 115.26 103.31 1whf n ASN 2 Ca 0.00 -1.44 -0.28 0.00 -0.53 0.00 0.00 54.58 52.34 1whf n ASN 2 Cb 0.00 1.54 -0.06 0.00 -2.08 0.00 0.00 39.78 39.18 1whf n ASN 2 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1whf s SER 3 N -2.53 5.56 0.34 0.53 1.04 -1.26 -4.99 113.70 112.39 1whf s SER 3 Ca 0.15 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.62 1whf s SER 3 Cb -0.01 -1.48 0.90 0.00 0.10 0.00 0.00 66.02 65.52 1whf s SER 3 CO 0.02 0.10 1.77 2.19 0.98 0.00 0.00 173.24 178.31 1whf h PHE 4 N 2.70 0.91 -3.32 5.02 -0.00 -2.02 -3.49 116.94 116.74 1whf h PHE 4 Ca -0.47 0.03 -0.53 0.00 -0.00 0.00 0.00 57.97 57.00 1whf h PHE 4 Cb 1.19 -0.27 0.01 0.00 -0.00 0.00 0.00 35.95 36.87 1whf h PHE 4 CO 0.59 0.14 0.54 -1.17 -0.00 0.00 0.00 178.31 178.40 1whf s LEU 5 N -10.08 4.41 0.00 2.10 2.96 -1.26 -5.09 118.68 111.71 1whf s LEU 5 Ca -0.10 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1whf s LEU 5 Cb 0.25 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1whf s LEU 5 CO 0.80 -0.40 0.00 1.33 -1.32 0.00 0.00 176.35 176.76 1whf n VAL 8 N 3.38 0.00 -1.47 1.68 0.24 -1.26 -5.14 118.33 115.76 1whf n VAL 8 Ca 0.07 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 1whf n VAL 8 Cb 0.46 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.69 1whf n VAL 8 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1whf n LYS 9 N 0.00 0.20 -1.38 7.34 5.02 -1.26 -3.82 118.16 124.25 1whf n LYS 9 Ca 0.00 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1whf n LYS 9 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 1whf n LYS 9 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1whf n GLN 10 N 6.71 -0.24 0.00 1.97 3.00 -1.26 -4.96 117.38 122.60 1whf n GLN 10 Ca 0.51 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1whf n GLN 10 Cb 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 30.24 30.20 1whf n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1whf n GLY 11 N 1.09 2.30 0.00 1.08 0.00 -1.25 -5.14 105.19 103.28 1whf n GLY 11 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 0.31 -2.71 1.61 5.15 -1.26 -5.15 115.26 113.21 1whf n ASN 12 Ca 0.00 -0.99 -0.15 0.00 -0.60 0.00 0.00 54.58 52.84 1whf n ASN 12 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1whf n ASN 12 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1whf n LEU 13 N 0.00 2.17 -1.18 1.20 -0.00 -1.26 -4.53 117.00 113.39 1whf n LEU 13 Ca 0.00 -4.30 -0.09 0.00 -0.00 0.00 0.00 56.01 51.62 1whf n LEU 13 Cb 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 43.42 43.62 1whf n LEU 13 CO 0.00 1.84 -0.09 0.54 -0.00 0.00 0.00 177.39 179.69 1whf n ARG 15 N -0.11 -1.27 -0.60 1.47 1.74 -1.26 -5.06 116.66 111.57 1whf n ARG 15 Ca 0.19 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1whf n ARG 15 Cb 0.74 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 1whf n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1whf h LEU 18 N 0.00 -1.48 0.00 0.00 -0.00 -1.97 -3.40 115.31 108.46 1whf h LEU 18 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1whf h LEU 18 Cb 0.00 0.76 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1whf h LEU 18 CO 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.15 1whf n ALA 21 N -3.41 0.00 -2.57 1.53 0.00 -1.26 -5.03 120.51 109.78 1whf n ALA 21 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1whf n ALA 21 Cb 0.38 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.00 0.00 -1.30 0.00 2.88 -1.26 -4.34 113.62 109.61 1whf n SER 23 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1whf n SER 23 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1whf n SER 23 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1whf n LEU 24 N 0.00 -1.73 0.00 2.46 0.00 -1.26 -5.10 117.00 111.37 1whf n LEU 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1whf n LEU 24 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 43.42 42.77 1whf n LEU 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.39 1whf n ALA 27 N -1.08 0.00 0.00 1.96 0.00 -1.26 -5.07 120.51 115.06 1whf n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1whf n ALA 27 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1whf n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1whf n ARG 28 N 0.00 0.00 0.00 0.00 1.74 -1.26 -1.63 116.66 115.51 1whf n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1whf n ARG 28 Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1whf n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1whf n VAL 30 N 0.72 0.00 -3.05 1.55 0.31 -1.26 -4.87 118.33 111.73 1whf n VAL 30 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1whf n VAL 30 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 3.52 -1.74 -0.65 -5.13 117.46 113.46 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 -0.13 0.00 -0.58 5.98 9.92 -1.26 -4.94 116.55 125.53 1whf n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1whf n ASP 33 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1whf n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1whf n ALA 34 N 2.93 2.54 0.00 2.24 0.00 -1.26 -0.74 120.51 126.22 1whf n ALA 34 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1whf n ALA 34 Cb 0.00 -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 0.00 0.00 0.00 0.00 177.50 177.50 1whf n GLN 36 N 0.06 0.00 -0.38 0.00 10.64 -1.26 -3.75 117.38 122.69 1whf n GLN 36 Ca 0.01 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.11 1whf n GLN 36 Cb 0.30 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.64 1whf n GLN 36 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1whf n THR 37 N 0.00 -0.59 0.77 -0.39 -2.24 0.08 0.10 114.28 112.01 1whf n THR 37 Ca 0.00 2.26 0.01 0.00 -2.27 0.00 0.00 64.05 64.05 1whf n THR 37 Cb 0.00 -2.87 0.05 0.00 -2.10 0.00 0.00 70.33 65.41 1whf n THR 37 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1whf n ASP 38 N -5.26 1.70 0.00 3.42 2.03 -1.25 -3.27 116.55 113.93 1whf n ASP 38 Ca 0.05 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1whf n ASP 38 Cb 0.30 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -1.70 -0.67 7.35 0.29 -3.82 117.46 119.00 1whf n PHE 40 Ca 0.04 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.52 1whf n PHE 40 Cb 0.39 0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.36 1whf n PHE 40 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1whf n TRP 41 N 0.00 -3.95 -2.85 -5.13 5.03 -1.20 -3.12 117.44 106.22 1whf n TRP 41 Ca 0.00 -0.87 -0.25 0.00 3.03 0.00 0.00 57.50 59.42 1whf n TRP 41 Cb 0.00 -0.73 0.02 0.00 -1.03 0.00 0.00 31.31 29.58 1whf n TRP 41 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1whf n SER 42 N -3.58 -4.31 0.00 -0.99 2.88 -1.25 -3.85 113.62 102.52 1whf n SER 42 Ca 0.12 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1whf n SER 42 Cb 0.42 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1whf n SER 42 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1whf n LYS 43 N 0.09 0.00 0.00 -1.46 3.00 -1.26 -5.01 118.16 113.52 1whf n LYS 43 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1whf n LYS 43 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1whf n LYS 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1whf n TYR 44 N 0.00 0.00 0.00 5.64 4.19 -1.18 -4.52 117.16 121.29 1whf n TYR 44 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1whf n TYR 44 Cb 0.00 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.38 1whf n TYR 44 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1whf n LYS 45 N -2.49 0.00 -0.64 2.98 2.85 -1.26 -4.33 118.16 115.28 1whf n LYS 45 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 1whf n LYS 45 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1whf n ASP 46 N 0.00 -0.32 0.00 -5.58 -0.08 -1.26 -5.03 116.55 104.27 1whf n ASP 46 Ca 0.00 -1.26 0.00 0.00 -1.51 0.00 0.00 54.79 52.02 1whf n ASP 46 Cb 0.00 0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 2.27 0.00 0.27 0.00 -1.26 -3.44 105.19 103.02 1whf n GLY 47 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 4.39 0.00 0.00 1.61 5.68 -1.26 -4.70 116.55 122.27 1whf n ASP 48 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1whf n ASP 48 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1whf n GLN 49 N 0.00 0.00 0.00 0.11 3.00 -1.22 -4.22 117.38 115.05 1whf n GLN 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1whf n GLN 49 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 30.24 29.25 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whf h GLU 51 N 0.00 0.28 0.00 0.00 4.81 -1.90 -1.36 114.58 116.41 1whf h GLU 51 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1whf h GLU 51 Cb 0.26 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1whf h GLU 51 CO 0.00 0.18 0.00 0.41 -0.73 0.00 0.00 179.01 178.87 1whf n GLY 52 N -1.20 -0.39 3.32 1.92 0.00 -1.26 -4.85 105.19 102.73 1whf n GLY 52 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.02 -2.42 -0.10 1.61 -0.00 -0.51 -4.91 115.22 107.87 1whf n HIS 53 Ca 0.09 0.81 -0.10 0.00 0.46 0.00 0.00 57.72 58.98 1whf n HIS 53 Cb 0.04 -3.95 -0.03 0.00 -0.12 0.00 0.00 29.99 25.93 1whf n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1whf h PRO 54 N -1.01 0.49 -7.28 1.57 0.13 -1.87 -3.44 132.00 120.58 1whf h PRO 54 Ca -0.53 -0.12 -0.51 0.00 -0.87 0.00 0.00 66.00 63.97 1whf h PRO 54 Cb 1.28 -0.06 0.18 0.00 0.13 0.00 0.00 31.00 32.52 1whf h PRO 54 CO 0.43 0.56 0.23 0.00 -0.23 0.00 0.00 178.00 178.99 1whf n LEU 56 N -4.07 0.00 -3.92 0.00 4.77 0.18 -4.81 117.00 109.14 1whf n LEU 56 Ca 0.10 -1.54 -0.37 0.00 -0.03 0.00 0.00 56.01 54.17 1whf n LEU 56 Cb 0.53 1.06 0.01 0.00 -2.33 0.00 0.00 43.42 42.69 1whf n LEU 56 CO 0.51 -0.30 -0.18 0.59 -1.33 0.00 0.00 177.39 176.69 1whf n ASN 57 N -2.12 -4.57 -3.50 -1.43 3.02 -1.25 0.11 115.26 105.51 1whf n ASN 57 Ca 0.02 -1.13 -0.25 0.00 -0.03 0.00 0.00 54.58 53.19 1whf n ASN 57 Cb 0.30 -1.86 -0.01 0.00 -0.61 0.00 0.00 39.78 37.60 1whf n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1whf n GLN 58 N -4.02 -3.06 -2.75 3.52 6.02 -1.26 -4.67 117.38 111.16 1whf n GLN 58 Ca -0.19 0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 56.81 1whf n GLN 58 Cb 0.61 -5.07 -0.06 0.00 1.02 0.00 0.00 30.24 26.74 1whf n GLN 58 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1whf s GLY 59 N -2.77 2.94 0.19 1.08 0.00 0.29 -4.40 107.32 104.66 1whf s GLY 59 Ca 0.45 0.59 -0.30 0.00 0.00 0.00 0.00 44.72 45.45 1whf s GLY 59 CO 0.55 1.09 0.96 0.30 0.00 0.00 0.00 173.10 176.00 1whf s HIS 60 N -1.42 3.89 -0.22 1.90 3.76 -0.48 -4.63 115.29 118.09 1whf s HIS 60 Ca 0.46 1.86 -0.06 0.00 -0.15 0.00 0.00 55.06 57.17 1whf s HIS 60 Cb -0.22 -3.03 -0.02 0.00 1.11 0.00 0.00 32.58 30.41 1whf s HIS 60 CO 0.28 0.28 0.02 0.00 -0.85 0.00 0.00 174.74 174.48 1whf s LYS 62 N 1.32 3.05 0.00 0.00 -0.14 0.31 -4.97 119.74 119.30 1whf s LYS 62 Ca 0.04 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.07 1whf s LYS 62 Cb -0.15 -2.83 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 1whf s LYS 62 CO 0.02 0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.61 1whf n GLY 64 N 0.63 0.25 0.00 -3.33 0.00 -1.03 0.11 105.19 101.83 1whf n GLY 64 Ca -0.09 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1whf n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1whf n ILE 65 N 9.00 0.00 -0.28 -0.61 2.08 -1.26 -4.28 119.36 124.01 1whf n ILE 65 Ca 0.00 0.36 0.33 0.00 0.56 0.00 0.00 62.75 64.00 1whf n ILE 65 Cb 0.00 -1.34 0.58 0.00 -0.75 0.00 0.00 39.64 38.13 1whf n ILE 65 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1whf h GLY 66 N 0.00 0.00 0.00 7.39 0.00 -1.96 -3.44 103.07 105.05 1whf h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1whf h GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1whf n ASP 67 N -3.51 0.00 -3.64 0.19 5.75 -1.26 -5.10 116.55 108.97 1whf n ASP 67 Ca 0.25 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.96 1whf n ASP 67 Cb 1.48 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 41.50 1whf n ASP 67 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1whf s TYR 68 N -3.59 -1.04 -0.32 2.11 1.13 -1.26 -2.45 117.35 111.93 1whf s TYR 68 Ca 0.00 2.09 -0.13 0.00 -1.41 0.00 0.00 57.07 57.61 1whf s TYR 68 Cb 0.00 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 1whf s TYR 68 CO 0.00 -0.51 0.27 0.95 -2.51 0.00 0.00 175.55 173.75 1whf s THR 69 N 1.60 5.25 0.00 -3.49 -4.23 0.12 -4.86 115.64 110.03 1whf s THR 69 Ca -0.10 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 1whf s THR 69 Cb -0.05 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1whf s THR 69 CO -0.19 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 1whf s THR 71 N -0.92 0.00 -0.23 0.00 2.01 0.12 -4.73 115.64 111.89 1whf s THR 71 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1whf s THR 71 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1whf s THR 71 CO 0.00 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 173.86 1whf n ALA 73 N 4.73 -1.45 -2.57 0.00 0.00 -1.26 -4.60 120.51 115.36 1whf n ALA 73 Ca -0.18 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.42 1whf n ALA 73 Cb 0.49 -0.04 -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 -2.58 3.28 0.00 0.00 2.12 -1.26 -2.16 118.70 118.10 1whf s GLU 74 Ca 0.18 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1whf s GLU 74 Cb -0.03 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1whf s GLU 74 CO 0.15 -2.00 0.00 0.41 -0.54 0.00 0.00 175.26 173.29 1whf n GLY 75 N 5.28 1.92 3.45 -1.50 0.00 -1.26 -4.85 105.19 108.23 1whf n GLY 75 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.32 0.16 1.61 0.40 -0.92 -0.56 117.98 119.00 1whf s PHE 76 Ca 0.00 -0.34 -0.23 0.00 -0.60 0.00 0.00 56.93 55.76 1whf s PHE 76 Cb 0.00 -1.11 0.07 0.00 0.51 0.00 0.00 43.02 42.49 1whf s PHE 76 CO 0.00 0.57 0.64 -1.21 0.70 0.00 0.00 175.22 175.92 1whf s GLU 77 N -2.95 1.29 0.00 0.44 0.41 -1.24 -4.47 118.70 112.19 1whf s GLU 77 Ca 0.24 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 1whf s GLU 77 Cb -0.07 0.57 0.00 0.00 -1.78 0.00 0.00 34.13 32.85 1whf s GLU 77 CO 0.12 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 1whf n GLY 78 N -0.38 1.97 0.45 -1.39 0.00 -1.26 -1.32 105.19 103.26 1whf n GLY 78 Ca -0.15 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.69 -0.73 1.61 1.63 -2.01 -1.86 116.57 114.51 1whf h LYS 79 Ca 0.00 0.05 -0.37 0.00 -0.85 0.00 0.00 60.65 59.48 1whf h LYS 79 Cb 0.00 0.16 -0.22 0.00 -0.60 0.00 0.00 32.23 31.57 1whf h LYS 79 CO 0.00 -0.46 0.35 0.09 -3.45 0.00 0.00 179.45 175.98 1whf n ASN 80 N -5.48 3.34 -0.61 4.20 3.02 -1.26 -4.85 115.26 113.62 1whf n ASN 80 Ca -0.08 -3.65 -0.08 0.00 -0.03 0.00 0.00 54.58 50.75 1whf n ASN 80 Cb 0.40 -0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.99 -0.01 -0.21 0.00 2.13 -0.95 -4.18 120.64 115.43 1whf n GLU 82 Ca -0.08 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1whf n GLU 82 Cb 0.36 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1whf n GLU 82 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1whf n PHE 83 N -3.80 -0.40 -3.22 4.31 3.72 -0.44 -4.83 117.46 112.80 1whf n PHE 83 Ca 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.70 1whf n PHE 83 Cb 1.36 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.87 1whf n PHE 83 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1whf s SER 84 N -0.64 -0.94 0.41 4.37 0.01 -1.26 -3.59 113.70 112.05 1whf s SER 84 Ca 0.00 -0.47 0.18 0.00 1.31 0.00 0.00 55.95 56.97 1whf s SER 84 Cb 0.00 1.69 1.08 0.00 0.21 0.00 0.00 66.02 69.00 1whf s SER 84 CO 0.00 -0.26 1.81 0.71 0.41 0.00 0.00 173.24 175.92 1whf h THR 85 N 5.55 0.61 0.00 1.44 1.35 -1.05 -3.46 112.91 117.35 1whf h THR 85 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1whf h THR 85 Cb 1.16 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1whf h THR 85 CO 0.16 0.08 0.00 -2.11 -0.25 0.00 0.00 175.52 173.39