#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whf s ASN 2 N 0.00 1.66 0.51 0.00 -0.87 -1.26 -5.13 114.94 109.86 1whf s ASN 2 Ca 0.00 -2.22 -0.15 0.00 -1.57 0.00 0.00 52.86 48.92 1whf s ASN 2 Cb 0.00 0.05 -0.07 0.00 -0.02 0.00 0.00 41.25 41.21 1whf s ASN 2 CO 0.00 -0.24 0.96 -0.55 -2.57 0.00 0.00 177.10 174.70 1whf s SER 3 N 0.88 6.55 0.00 -1.22 0.15 -1.26 -4.93 113.70 113.87 1whf s SER 3 Ca 0.23 1.48 0.27 0.00 0.70 0.00 0.00 55.95 58.63 1whf s SER 3 Cb -0.12 -2.48 1.47 0.00 -1.71 0.00 0.00 66.02 63.19 1whf s SER 3 CO -0.06 -0.60 1.93 2.22 1.20 0.00 0.00 173.24 177.92 1whf n PHE 4 N -1.71 0.00 -1.85 3.44 1.16 -1.26 -5.03 117.46 112.21 1whf n PHE 4 Ca 0.06 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.30 1whf n PHE 4 Cb 0.54 -0.14 -0.04 0.00 -1.61 0.00 0.00 39.48 38.24 1whf n PHE 4 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1whf s LEU 5 N -2.28 3.27 -0.32 5.98 1.02 -1.26 -4.32 118.68 120.78 1whf s LEU 5 Ca 0.33 0.41 0.05 0.00 0.02 0.00 0.00 54.13 54.94 1whf s LEU 5 Cb 0.18 -2.53 0.18 0.00 0.02 0.00 0.00 46.19 44.05 1whf s LEU 5 CO 0.35 -2.71 0.54 0.68 0.02 0.00 0.00 176.35 175.24 1whf s VAL 8 N 10.66 -0.88 -0.89 -1.59 -7.23 -1.26 -5.15 120.40 114.05 1whf s VAL 8 Ca 0.79 -0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 60.65 1whf s VAL 8 Cb -0.13 -0.80 -0.24 0.00 0.56 0.00 0.00 36.38 35.77 1whf s VAL 8 CO 0.18 -0.10 2.34 1.17 -0.31 0.00 0.00 175.10 178.39 1whf n LYS 9 N 5.16 0.26 -1.43 4.82 3.00 -1.26 -4.63 118.16 124.08 1whf n LYS 9 Ca 0.05 -0.24 -0.29 0.00 -0.00 0.00 0.00 58.31 57.83 1whf n LYS 9 Cb 0.53 -2.07 -0.18 0.00 0.00 0.00 0.00 35.03 33.30 1whf n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1whf n GLN 10 N 7.27 0.00 0.00 1.64 -0.00 -1.26 -3.99 117.38 121.03 1whf n GLN 10 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.59 1whf n GLN 10 Cb 0.24 -1.17 0.00 0.00 -0.00 0.00 0.00 30.24 29.31 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 5.67 -2.82 3.54 2.61 0.00 -1.26 -5.12 105.19 107.81 1whf n GLY 11 Ca 0.64 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1whf n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whf s ASN 12 N -1.08 -0.29 0.00 1.61 4.22 -1.26 -5.12 114.94 113.02 1whf s ASN 12 Ca 0.00 0.05 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 1whf s ASN 12 Cb 0.00 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.83 1whf s ASN 12 CO 0.00 -0.46 0.00 0.18 -2.04 0.00 0.00 177.10 174.78 1whf n LEU 13 N -0.07 0.00 -1.54 3.54 7.99 -1.26 -4.75 117.00 120.91 1whf n LEU 13 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1whf n LEU 13 Cb 0.60 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 1whf n LEU 13 CO 0.11 0.00 0.00 0.54 -1.51 0.00 0.00 177.39 176.53 1whf n ARG 15 N -0.06 -1.76 0.00 3.23 1.74 -1.26 -4.32 116.66 114.23 1whf n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1whf n ARG 15 Cb 0.00 -3.87 0.00 0.00 -1.02 0.00 0.00 32.46 27.57 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 -0.38 0.28 0.00 5.85 -2.02 -3.37 115.31 115.67 1whf h LEU 18 Ca 0.00 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1whf h LEU 18 Cb 0.00 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1whf h LEU 18 CO 0.00 -0.18 -0.09 0.00 -0.34 0.00 0.00 178.44 177.83 1whf n ALA 21 N -2.43 -0.07 -2.44 1.25 0.00 -1.26 -4.88 120.51 110.68 1whf n ALA 21 Ca -0.05 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1whf n ALA 21 Cb 0.18 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.89 0.19 -1.43 0.00 2.88 -1.26 -4.98 113.62 108.13 1whf n SER 23 Ca -0.03 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 1whf n SER 23 Cb 0.66 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.02 -1.91 0.00 2.46 0.00 -1.26 -5.07 117.00 111.21 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 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 43.42 42.96 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 -1.27 0.00 1.95 1.96 0.00 -1.26 -5.05 120.51 116.85 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 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.71 1.02 0.00 0.00 1.74 -1.26 -3.48 116.66 112.97 1whf n ARG 28 Ca 0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1whf n ARG 28 Cb 0.00 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.46 0.00 -3.31 1.55 0.31 -1.26 -5.02 118.33 110.13 1whf n VAL 30 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1whf n VAL 30 Cb 0.01 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.93 1whf n VAL 30 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1whf s PHE 31 N 0.00 2.77 0.14 3.52 0.40 -1.23 -4.57 117.98 119.01 1whf s PHE 31 Ca 0.00 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1whf s PHE 31 Cb 0.00 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1whf s PHE 31 CO 0.00 -0.25 0.00 -0.25 0.70 0.00 0.00 175.22 175.42 1whf n ASP 33 N -1.68 -5.21 -0.50 1.36 8.00 -1.26 -4.58 116.55 112.68 1whf n ASP 33 Ca 0.05 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.15 1whf n ASP 33 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.55 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 0.33 2.49 0.00 2.24 0.00 -1.26 -0.86 120.51 123.45 1whf n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 1.04 0.00 0.00 0.00 177.50 178.54 1whf n GLN 36 N -0.00 0.00 -0.34 0.00 1.13 -1.26 -3.76 117.38 113.15 1whf n GLN 36 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1whf n GLN 36 Cb 0.25 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.50 1whf n GLN 36 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1whf h THR 37 N 0.00 0.00 -0.05 5.09 1.35 -1.25 0.68 112.91 118.74 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 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 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 -5.26 1.66 0.00 5.36 2.03 -1.25 -3.40 116.55 115.70 1whf n ASP 38 Ca 0.01 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1whf n ASP 38 Cb 0.28 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 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 0.11 0.00 0.00 -0.67 -0.00 0.24 0.31 117.46 117.45 1whf n PHE 40 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1whf n PHE 40 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.85 1whf n PHE 40 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1whf n TRP 41 N 0.00 0.00 0.23 -5.13 5.03 -1.22 -2.61 117.44 113.75 1whf n TRP 41 Ca 0.00 0.00 -0.17 0.00 3.03 0.00 0.00 57.50 60.36 1whf n TRP 41 Cb 0.00 -0.39 -0.10 0.00 -1.03 0.00 0.00 31.31 29.79 1whf n TRP 41 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 1whf h SER 42 N 0.00 -1.43 0.16 -0.99 4.64 -0.43 0.14 113.55 115.66 1whf h SER 42 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1whf h SER 42 Cb 0.00 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1whf h SER 42 CO 0.00 -0.62 0.00 1.17 -0.87 0.00 0.00 176.83 176.51 1whf n LYS 43 N -5.44 0.12 -0.11 4.77 4.81 -1.25 -3.25 118.16 117.81 1whf n LYS 43 Ca -0.11 0.56 -0.05 0.00 -0.87 0.00 0.00 58.31 57.83 1whf n LYS 43 Cb 0.44 -1.84 -0.04 0.00 0.02 0.00 0.00 35.03 33.60 1whf n LYS 43 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1whf h TYR 44 N 0.00 -0.77 0.00 5.64 5.03 -0.45 -3.38 116.97 123.04 1whf h TYR 44 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1whf h TYR 44 Cb 0.08 0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1whf h TYR 44 CO 0.00 -0.19 0.00 1.63 -1.32 0.00 0.00 178.16 178.28 1whf n LYS 45 N -3.90 0.00 0.00 1.82 5.02 -1.20 -3.75 118.16 116.15 1whf n LYS 45 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1whf n LYS 45 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.00 0.00 0.00 4.39 -0.08 -1.26 -5.01 116.55 114.59 1whf n ASP 46 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 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 -0.48 1.22 2.47 0.27 0.00 -1.25 -4.26 105.19 103.15 1whf n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -3.85 0.00 1.61 5.68 -1.26 -1.04 116.55 117.69 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 -1.62 0.00 0.00 -1.14 0.00 0.00 41.12 38.36 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 -1.48 0.00 -0.00 0.11 1.13 -1.26 -4.18 117.38 111.69 1whf n GLN 49 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1whf n GLN 49 Cb 0.18 -0.55 -0.06 0.00 0.11 0.00 0.00 30.24 29.92 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whf h GLU 51 N 0.00 0.00 -0.72 0.00 4.81 -1.34 -0.58 114.58 116.75 1whf h GLU 51 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1whf h GLU 51 Cb 0.30 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1whf h GLU 51 CO 0.00 0.00 0.09 0.41 -0.73 0.00 0.00 179.01 178.78 1whf n GLY 52 N -1.20 2.92 4.09 1.92 0.00 -1.26 -4.92 105.19 106.74 1whf n GLY 52 Ca -0.02 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 0.27 -1.46 -0.34 1.61 -0.00 -0.22 -4.81 115.22 110.27 1whf n HIS 53 Ca 0.27 0.43 0.02 0.00 0.46 0.00 0.00 57.72 58.90 1whf n HIS 53 Cb 1.09 -3.05 0.19 0.00 -0.12 0.00 0.00 29.99 28.10 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 -2.11 1.12 -7.10 1.57 0.11 -1.83 -3.43 132.00 120.33 1whf h PRO 54 Ca -0.67 -0.07 -0.50 0.00 0.11 0.00 0.00 66.00 64.87 1whf h PRO 54 Cb 1.39 -0.25 0.04 0.00 0.11 0.00 0.00 31.00 32.29 1whf h PRO 54 CO 0.60 0.74 0.25 0.00 -0.21 0.00 0.00 178.00 179.38 1whf n LEU 56 N -2.26 0.00 -3.84 0.00 4.77 0.14 -4.82 117.00 111.00 1whf n LEU 56 Ca 0.03 -0.88 -0.36 0.00 -0.03 0.00 0.00 56.01 54.78 1whf n LEU 56 Cb 0.54 0.63 0.03 0.00 -2.33 0.00 0.00 43.42 42.29 1whf n LEU 56 CO 0.54 -0.18 -0.12 0.59 -1.33 0.00 0.00 177.39 176.89 1whf n ASN 57 N -2.27 -4.38 -2.46 -1.43 3.02 -1.25 0.10 115.26 106.59 1whf n ASN 57 Ca 0.01 -1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 53.32 1whf n ASN 57 Cb 0.17 -2.81 -0.01 0.00 -0.61 0.00 0.00 39.78 36.53 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 -4.47 -2.22 -2.89 3.52 6.02 -1.26 -4.45 117.38 111.63 1whf n GLN 58 Ca -0.12 0.64 -0.39 0.00 -0.01 0.00 0.00 57.00 57.12 1whf n GLN 58 Cb 0.59 -5.26 -0.06 0.00 1.02 0.00 0.00 30.24 26.54 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 -2.05 2.92 0.43 1.08 0.00 0.12 -4.24 107.32 105.57 1whf s GLY 59 Ca 0.01 0.45 -0.21 0.00 0.00 0.00 0.00 44.72 44.97 1whf s GLY 59 CO 0.01 0.94 0.96 0.30 0.00 0.00 0.00 173.10 175.32 1whf s HIS 60 N -1.29 3.29 -0.23 1.90 3.76 -0.16 -4.58 115.29 117.98 1whf s HIS 60 Ca 0.41 1.61 0.02 0.00 -0.15 0.00 0.00 55.06 56.95 1whf s HIS 60 Cb -0.22 -2.88 0.04 0.00 1.11 0.00 0.00 32.58 30.63 1whf s HIS 60 CO 0.27 -0.18 -0.14 0.00 -0.85 0.00 0.00 174.74 173.84 1whf n LYS 62 N 4.52 0.67 0.00 0.00 3.00 0.03 -4.97 118.16 121.41 1whf n LYS 62 Ca -0.17 -1.15 0.00 0.00 -0.00 0.00 0.00 58.31 57.00 1whf n LYS 62 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.33 1whf n LYS 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1whf n GLY 64 N 2.20 4.45 0.38 3.14 0.00 -0.12 -3.49 105.19 111.75 1whf n GLY 64 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1whf n GLY 64 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1whf h ILE 65 N 0.00 0.10 -0.93 -0.61 1.08 -1.98 0.39 117.51 115.56 1whf h ILE 65 Ca 0.00 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.74 1whf h ILE 65 Cb 0.00 0.10 -0.15 0.00 -3.07 0.00 0.00 36.82 33.70 1whf h ILE 65 CO 0.00 0.00 0.29 1.23 -0.69 0.00 0.00 178.15 178.98 1whf h GLY 66 N -0.24 1.56 0.00 5.37 0.00 -1.98 -3.46 103.07 104.32 1whf h GLY 66 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1whf h GLY 66 CO -0.67 -0.46 0.00 2.09 0.00 0.00 0.00 176.54 177.51 1whf n ASP 67 N -5.24 0.00 -3.91 0.19 5.75 0.14 -5.12 116.55 108.35 1whf n ASP 67 Ca 0.25 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.94 1whf n ASP 67 Cb 0.81 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.81 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 -3.51 0.21 -0.20 2.11 1.13 -1.26 -0.95 117.35 114.88 1whf s TYR 68 Ca 0.00 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.08 1whf s TYR 68 Cb 0.00 -0.13 0.04 0.00 -1.10 0.00 0.00 41.96 40.77 1whf s TYR 68 CO 0.00 -0.45 -0.13 0.95 -2.51 0.00 0.00 175.55 173.42 1whf s THR 69 N -3.31 1.83 0.00 -3.49 -4.23 -1.23 -4.95 115.64 100.26 1whf s THR 69 Ca 0.01 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1whf s THR 69 Cb 0.03 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1whf s THR 69 CO -0.08 0.22 0.00 0.00 -0.54 0.00 0.00 174.62 174.23 1whf s THR 71 N -0.30 -0.87 -0.33 0.00 2.01 -0.30 -4.80 115.64 111.05 1whf s THR 71 Ca 0.00 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 61.79 1whf s THR 71 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1whf s THR 71 CO 0.00 0.00 0.68 0.00 -0.69 0.00 0.00 174.62 174.61 1whf n ALA 73 N 6.07 -2.40 -2.59 0.00 0.00 -1.26 -4.68 120.51 115.65 1whf n ALA 73 Ca 0.00 -0.70 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 1whf n ALA 73 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.36 3.24 0.00 0.00 2.12 -1.26 -2.53 118.70 116.92 1whf s GLU 74 Ca 0.30 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.42 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 0.26 -2.01 0.00 0.41 -0.54 0.00 0.00 175.26 173.37 1whf n GLY 75 N 5.31 0.02 3.16 -1.50 0.00 -1.26 -4.88 105.19 106.03 1whf n GLY 75 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.90 1.00 0.24 1.61 0.40 -1.05 0.92 117.98 120.20 1whf s PHE 76 Ca 0.00 -0.63 -0.17 0.00 -0.60 0.00 0.00 56.93 55.53 1whf s PHE 76 Cb 0.00 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.99 1whf s PHE 76 CO 0.00 -0.02 0.58 -2.00 0.70 0.00 0.00 175.22 174.48 1whf s GLU 77 N -2.54 1.58 0.00 0.44 2.12 -1.26 -4.62 118.70 114.42 1whf s GLU 77 Ca 0.02 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.32 1whf s GLU 77 Cb -0.04 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1whf s GLU 77 CO 0.00 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 1whf n GLY 78 N -0.40 2.05 0.37 -1.50 0.00 -1.26 -2.06 105.19 102.40 1whf n GLY 78 Ca -0.05 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.45 -0.50 1.61 3.11 -2.00 -1.70 116.57 116.63 1whf h LYS 79 Ca 0.00 0.03 -0.21 0.00 -2.81 0.00 0.00 60.65 57.66 1whf h LYS 79 Cb 0.00 0.10 -0.12 0.00 -1.00 0.00 0.00 32.23 31.21 1whf h LYS 79 CO 0.00 -0.30 0.12 0.09 -2.81 0.00 0.00 179.45 176.55 1whf n ASN 80 N -5.43 3.35 -0.60 4.20 3.02 -1.26 -4.87 115.26 113.67 1whf n ASN 80 Ca -0.04 -3.51 -0.08 0.00 -0.03 0.00 0.00 54.58 50.92 1whf n ASN 80 Cb 0.35 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.04 0.01 -0.13 0.00 2.13 -1.17 -4.14 120.64 116.30 1whf n GLU 82 Ca -0.08 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1whf n GLU 82 Cb 0.47 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.87 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 -3.11 -0.45 -3.16 4.31 3.72 -0.88 -4.88 117.46 113.01 1whf n PHE 83 Ca 0.23 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.65 1whf n PHE 83 Cb 1.43 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.97 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 -1.00 -1.46 0.11 4.37 0.01 -1.26 -4.09 113.70 110.37 1whf s SER 84 Ca 0.00 -0.45 -0.33 0.00 1.31 0.00 0.00 55.95 56.48 1whf s SER 84 Cb 0.00 1.87 -0.12 0.00 0.21 0.00 0.00 66.02 67.98 1whf s SER 84 CO 0.00 -0.20 1.57 0.71 0.41 0.00 0.00 173.24 175.74 1whf h THR 85 N 5.17 0.07 0.00 1.44 1.35 0.26 -3.46 112.91 117.73 1whf h THR 85 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1whf h THR 85 Cb 1.19 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1whf h THR 85 CO 0.10 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.26