#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 0.60 -4.57 0.00 6.94 -1.26 -4.96 115.26 112.00 1whf n ASN 2 Ca 0.00 0.00 -0.50 0.00 -0.02 0.00 0.00 54.58 54.06 1whf n ASN 2 Cb 0.00 0.99 -0.05 0.00 -2.36 0.00 0.00 39.78 38.36 1whf n ASN 2 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1whf n SER 3 N -2.63 1.28 -0.02 0.53 2.88 -1.26 -4.79 113.62 109.60 1whf n SER 3 Ca -0.28 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.41 1whf n SER 3 Cb 1.05 -1.19 0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1whf n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1whf n PHE 4 N 1.71 0.01 -1.61 0.66 -1.74 -1.26 -5.05 117.46 110.18 1whf n PHE 4 Ca 0.16 -0.01 -0.26 0.00 -0.56 0.00 0.00 57.45 56.78 1whf n PHE 4 Cb 0.22 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.18 1whf n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1whf s LEU 5 N -1.07 3.15 -0.30 5.98 1.02 -1.26 -4.34 118.68 121.87 1whf s LEU 5 Ca 0.04 0.51 0.06 0.00 0.02 0.00 0.00 54.13 54.76 1whf s LEU 5 Cb 0.02 -2.53 0.20 0.00 0.02 0.00 0.00 46.19 43.90 1whf s LEU 5 CO 0.03 -3.29 0.58 0.68 0.02 0.00 0.00 176.35 174.37 1whf s VAL 8 N 13.08 -0.98 0.53 -1.59 -7.23 -1.26 -5.09 120.40 117.87 1whf s VAL 8 Ca 0.92 -0.02 0.21 0.00 -1.81 0.00 0.00 61.98 61.28 1whf s VAL 8 Cb -0.14 -0.91 0.21 0.00 0.56 0.00 0.00 36.38 36.09 1whf s VAL 8 CO 0.17 -0.02 1.60 0.50 -0.31 0.00 0.00 175.10 177.04 1whf h LYS 9 N 7.92 0.00 -1.45 4.82 3.64 -2.04 -3.44 116.57 126.03 1whf h LYS 9 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1whf h LYS 9 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1whf h LYS 9 CO 0.15 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 178.27 1whf n GLN 10 N -2.62 0.00 -0.39 1.90 7.27 -1.26 -5.03 117.38 117.26 1whf n GLN 10 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1whf n GLN 10 Cb 0.49 -0.86 0.00 0.00 2.41 0.00 0.00 30.24 32.28 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 -0.72 -0.16 2.42 1.69 0.00 -1.26 -4.91 105.19 102.24 1whf n GLY 11 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1whf n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1whf n ASN 12 N 0.00 6.64 0.00 1.61 3.02 -1.26 -4.18 115.26 121.08 1whf n ASN 12 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1whf n ASN 12 Cb 0.64 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 1whf n ASN 12 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1whf n LEU 13 N 1.31 1.20 0.00 3.41 -0.00 -1.26 -4.45 117.00 117.21 1whf n LEU 13 Ca 0.51 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 1whf n LEU 13 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1whf n LEU 13 CO 0.38 0.30 0.00 0.54 -0.00 0.00 0.00 177.39 178.61 1whf n ARG 15 N -0.23 0.00 -0.13 1.96 1.74 -1.26 -5.09 116.66 113.66 1whf n ARG 15 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1whf n ARG 15 Cb 0.22 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.55 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 -3.82 0.00 0.00 0.00 7.99 -1.26 -4.83 117.00 115.08 1whf n LEU 18 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.51 1whf n LEU 18 Cb 0.93 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.24 1whf n LEU 18 CO 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.04 1whf n ALA 21 N 0.00 0.00 -2.58 -1.18 0.00 -1.26 -5.00 120.51 110.49 1whf n ALA 21 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1whf n ALA 21 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.91 1.22 -1.63 0.00 2.88 -1.26 -5.14 113.62 108.78 1whf n SER 23 Ca -0.05 -1.47 -0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1whf n SER 23 Cb 0.65 -0.03 -0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.03 -2.59 0.00 2.46 -0.00 -1.26 -5.09 117.00 110.48 1whf n LEU 24 Ca 0.19 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 1whf n LEU 24 Cb 0.29 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 1whf n LEU 24 CO 0.15 -0.41 0.00 0.00 -0.00 0.00 0.00 177.39 177.13 1whf n ALA 27 N 0.13 0.00 0.93 1.96 0.00 -1.26 -5.04 120.51 117.23 1whf n ALA 27 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1whf n ALA 27 Cb 0.03 -0.32 0.58 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.10 0.04 0.00 0.00 1.74 -1.26 -4.32 116.66 111.77 1whf n ARG 28 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1whf n ARG 28 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1whf n ARG 28 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1whf n VAL 30 N -1.63 0.00 -1.83 1.55 3.14 -1.26 -5.05 118.33 113.25 1whf n VAL 30 Ca 0.07 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.15 1whf n VAL 30 Cb 0.35 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.28 1whf n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1whf s PHE 31 N 0.00 2.21 0.07 1.45 0.40 -1.26 -4.99 117.98 115.86 1whf s PHE 31 Ca 0.00 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 1whf s PHE 31 Cb 0.00 -3.74 0.00 0.00 0.51 0.00 0.00 43.02 39.79 1whf s PHE 31 CO 0.00 -2.32 0.00 -0.25 0.70 0.00 0.00 175.22 173.35 1whf n ASP 33 N -3.63 -5.06 -0.51 1.36 9.92 -1.26 -4.69 116.55 112.67 1whf n ASP 33 Ca 0.11 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 55.01 1whf n ASP 33 Cb 0.60 -2.77 0.00 0.00 -0.64 0.00 0.00 41.12 38.31 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 0.82 2.38 0.00 2.24 0.00 -1.26 -1.04 120.51 123.65 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 0.05 0.00 -0.37 0.00 1.13 -1.26 -3.85 117.38 113.09 1whf n GLN 36 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1whf n GLN 36 Cb 0.24 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.52 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 0.01 -0.05 5.09 1.35 -1.36 0.93 112.91 118.88 1whf h THR 37 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 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 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 1whf n ASP 38 N -5.32 1.39 0.00 5.36 -0.08 -1.25 -3.02 116.55 113.63 1whf n ASP 38 Ca 0.03 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.24 1whf n ASP 38 Cb 0.31 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.25 1whf n ASP 38 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1whf n PHE 40 N 0.05 0.00 -1.87 -0.67 7.35 0.32 -3.86 117.46 118.78 1whf n PHE 40 Ca 0.02 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.42 1whf n PHE 40 Cb 0.33 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.37 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 -3.99 -2.72 -5.13 5.03 -1.17 -3.30 117.44 106.17 1whf n TRP 41 Ca 0.00 -1.16 0.00 0.00 3.03 0.00 0.00 57.50 59.37 1whf n TRP 41 Cb 0.00 -1.03 0.00 0.00 -1.03 0.00 0.00 31.31 29.25 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 -3.91 -5.79 0.00 -0.99 2.88 -1.25 -3.94 113.62 100.61 1whf n SER 42 Ca 0.17 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1whf n SER 42 Cb 0.58 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 1.49 0.00 0.00 -1.46 3.00 -1.26 -4.98 118.16 114.95 1whf n LYS 43 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1whf n LYS 43 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 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 9.36 -1.21 -4.58 117.16 126.37 1whf n TYR 44 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1whf n TYR 44 Cb 0.00 -0.32 0.00 0.00 -0.63 0.00 0.00 39.34 38.39 1whf n TYR 44 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1whf n LYS 45 N -1.65 0.00 -0.89 2.98 2.85 -1.26 -4.45 118.16 115.74 1whf n LYS 45 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1whf n LYS 45 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 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 -0.78 -0.21 -5.58 2.03 -1.26 -4.93 116.55 105.81 1whf n ASP 46 Ca 0.00 -1.76 -0.03 0.00 0.52 0.00 0.00 54.79 53.52 1whf n ASP 46 Cb 0.00 0.23 -0.01 0.00 -0.72 0.00 0.00 41.12 40.62 1whf n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whf n GLY 47 N 0.00 0.44 2.24 0.27 0.00 -1.26 -1.60 105.19 105.28 1whf n GLY 47 Ca -0.22 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1whf n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whf n ASP 48 N -0.53 -3.91 0.00 1.61 2.03 -1.26 -1.52 116.55 112.97 1whf n ASP 48 Ca -0.03 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1whf n ASP 48 Cb 0.34 -2.32 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1whf n GLN 49 N -2.62 0.00 -0.00 -0.67 1.13 -0.63 -3.10 117.38 111.49 1whf n GLN 49 Ca -0.09 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.00 1whf n GLN 49 Cb 0.33 -2.65 -0.03 0.00 0.11 0.00 0.00 30.24 27.99 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1whf s GLU 51 N -1.55 2.38 0.00 0.00 -6.30 -0.57 -2.75 118.70 109.90 1whf s GLU 51 Ca 0.02 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.36 1whf s GLU 51 Cb 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 34.13 32.32 1whf s GLU 51 CO 0.24 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 174.24 1whf n GLY 52 N 0.57 1.63 2.41 -1.50 0.00 -1.26 -4.43 105.19 102.62 1whf n GLY 52 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 -1.55 -0.35 1.61 -0.00 -1.11 -4.93 115.22 106.88 1whf n HIS 53 Ca 0.00 0.57 -0.03 0.00 0.46 0.00 0.00 57.72 58.72 1whf n HIS 53 Cb 0.00 -3.14 0.10 0.00 -0.12 0.00 0.00 29.99 26.83 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 -0.08 1.29 -7.51 1.57 0.11 -1.77 -3.43 132.00 122.17 1whf h PRO 54 Ca -0.13 -0.12 -0.46 0.00 0.11 0.00 0.00 66.00 65.40 1whf h PRO 54 Cb 1.07 -0.27 0.11 0.00 0.11 0.00 0.00 31.00 32.02 1whf h PRO 54 CO 0.20 0.90 0.31 0.00 -0.21 0.00 0.00 178.00 179.19 1whf n LEU 56 N -3.27 0.00 -3.79 0.00 4.77 0.32 -4.87 117.00 110.16 1whf n LEU 56 Ca 0.12 -0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 55.25 1whf n LEU 56 Cb 0.60 0.44 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1whf n LEU 56 CO 0.49 -0.12 -0.12 0.59 -1.33 0.00 0.00 177.39 176.90 1whf n ASN 57 N -2.17 -3.82 -3.19 -1.43 5.03 -0.43 0.05 115.26 109.30 1whf n ASN 57 Ca 0.00 -1.04 -0.18 0.00 0.87 0.00 0.00 54.58 54.24 1whf n ASN 57 Cb 0.11 -3.15 -0.02 0.00 -1.02 0.00 0.00 39.78 35.70 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 -4.32 -2.59 -2.71 3.52 1.13 -1.26 -4.32 117.38 106.83 1whf n GLN 58 Ca -0.16 0.26 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 1whf n GLN 58 Cb 0.61 -4.86 -0.04 0.00 0.11 0.00 0.00 30.24 26.06 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 -2.49 2.07 0.72 1.08 0.00 0.11 -4.46 107.32 104.34 1whf s GLY 59 Ca 0.30 0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 1whf s GLY 59 CO 0.37 0.25 1.10 0.30 0.00 0.00 0.00 173.10 175.12 1whf s HIS 60 N -2.41 3.25 -0.18 1.90 3.76 -0.14 -4.67 115.29 116.80 1whf s HIS 60 Ca 0.55 1.03 -0.02 0.00 -0.15 0.00 0.00 55.06 56.47 1whf s HIS 60 Cb -0.10 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.53 1whf s HIS 60 CO 0.28 -1.28 0.03 0.00 -0.85 0.00 0.00 174.74 172.91 1whf n LYS 62 N 5.05 -0.14 -1.27 0.00 5.02 0.32 -4.93 118.16 122.19 1whf n LYS 62 Ca -0.09 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1whf n LYS 62 Cb 0.48 -0.17 0.00 0.00 -0.02 0.00 0.00 35.03 35.31 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 3.90 -0.02 0.02 0.72 0.00 -0.90 -3.44 105.19 105.47 1whf n GLY 64 Ca 0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 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 3.27 0.37 -0.28 -0.61 2.08 -1.26 -3.81 119.36 119.13 1whf n ILE 65 Ca 0.00 0.42 0.33 0.00 0.56 0.00 0.00 62.75 64.06 1whf n ILE 65 Cb 0.00 -1.73 0.62 0.00 -0.75 0.00 0.00 39.64 37.78 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 -0.26 0.00 0.00 7.39 0.00 -1.96 -3.45 103.07 104.79 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 -3.60 0.00 -0.51 0.19 5.75 -1.26 -5.11 116.55 112.01 1whf n ASP 67 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1whf n ASP 67 Cb 1.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 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 1.90 -0.50 -4.10 2.11 4.11 -1.26 -2.12 117.16 117.31 1whf n TYR 68 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.75 1whf n TYR 68 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.30 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 -2.98 0.00 0.03 -3.48 -4.23 -1.22 -4.99 115.64 98.77 1whf s THR 69 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1whf s THR 69 Cb 0.00 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1whf s THR 69 CO 0.00 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.11 1whf s THR 71 N -2.16 0.00 -0.10 0.00 2.01 -0.31 -4.70 115.64 110.38 1whf s THR 71 Ca 0.03 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1whf s THR 71 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1whf s THR 71 CO 0.02 0.00 0.02 0.00 -0.69 0.00 0.00 174.62 173.98 1whf s ALA 73 N -0.80 0.94 -0.68 0.00 0.00 -1.26 -4.90 121.76 115.06 1whf s ALA 73 Ca 0.12 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1whf s ALA 73 Cb -0.12 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1whf s ALA 73 CO 0.02 -3.22 1.22 -2.00 0.00 0.00 0.00 175.76 171.79 1whf s GLU 74 N -5.36 3.29 0.00 0.00 2.12 -1.26 -2.57 118.70 114.92 1whf s GLU 74 Ca 0.70 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1whf s GLU 74 Cb -0.11 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.15 1whf s GLU 74 CO 0.56 -1.96 0.00 0.41 -0.54 0.00 0.00 175.26 173.73 1whf n GLY 75 N 5.27 0.15 3.39 -1.50 0.00 -1.26 -4.95 105.19 106.28 1whf n GLY 75 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.95 1.76 0.32 1.61 0.40 -1.06 -0.08 117.98 119.98 1whf s PHE 76 Ca 0.00 -1.02 -0.19 0.00 -0.60 0.00 0.00 56.93 55.12 1whf s PHE 76 Cb 0.00 -1.09 0.04 0.00 0.51 0.00 0.00 43.02 42.48 1whf s PHE 76 CO 0.00 -0.11 0.77 -1.21 0.70 0.00 0.00 175.22 175.38 1whf s GLU 77 N -3.93 1.96 0.00 0.44 2.02 -1.11 -4.77 118.70 113.32 1whf s GLU 77 Ca 0.36 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1whf s GLU 77 Cb 0.08 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.91 1whf s GLU 77 CO 0.14 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1whf n GLY 78 N -0.50 2.13 0.34 -1.39 0.00 -1.26 0.14 105.19 104.64 1whf n GLY 78 Ca -0.06 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.64 -0.87 1.61 3.11 -2.01 -1.51 116.57 116.26 1whf h LYS 79 Ca 0.00 0.04 -0.36 0.00 -2.81 0.00 0.00 60.65 57.53 1whf h LYS 79 Cb 0.00 0.15 -0.21 0.00 -1.00 0.00 0.00 32.23 31.16 1whf h LYS 79 CO 0.00 -0.43 0.45 0.09 -2.81 0.00 0.00 179.45 176.76 1whf n ASN 80 N -5.42 4.34 -3.18 4.20 3.02 -1.26 -4.90 115.26 112.06 1whf n ASN 80 Ca -0.10 -3.39 -0.07 0.00 -0.03 0.00 0.00 54.58 51.00 1whf n ASN 80 Cb 0.33 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.67 1.90 -2.85 0.00 4.07 0.36 -1.32 120.64 121.14 1whf n GLU 82 Ca -0.04 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.62 1whf n GLU 82 Cb 0.54 -1.31 -0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1whf n GLU 82 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1whf s PHE 83 N -2.29 3.26 -0.32 4.31 0.08 0.08 -4.86 117.98 118.23 1whf s PHE 83 Ca -0.07 -1.90 -0.31 0.00 0.12 0.00 0.00 56.93 54.77 1whf s PHE 83 Cb 0.04 -4.43 -0.09 0.00 -0.57 0.00 0.00 43.02 37.98 1whf s PHE 83 CO 0.48 -1.52 2.24 -1.13 -0.10 0.00 0.00 175.22 175.19 1whf n SER 84 N 6.48 2.57 0.03 1.36 3.41 -1.26 -2.74 113.62 123.46 1whf n SER 84 Ca 0.38 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1whf n SER 84 Cb 0.44 -1.41 0.34 0.00 -0.26 0.00 0.00 64.21 63.33 1whf n SER 84 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1whf n THR 85 N 7.52 0.16 0.00 6.66 -2.24 0.76 -4.96 114.28 122.19 1whf n THR 85 Ca 0.37 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1whf n THR 85 Cb 0.34 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1whf n THR 85 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39