#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 -3.93 -3.10 0.00 4.13 -1.26 -4.94 115.26 106.16 1whf n ASN 2 Ca 0.00 0.18 -0.19 0.00 1.68 0.00 0.00 54.58 56.25 1whf n ASN 2 Cb 0.00 -2.47 -0.04 0.00 -1.54 0.00 0.00 39.78 35.72 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 0.42 -1.09 -0.76 6.41 3.41 -1.26 -4.97 113.62 115.77 1whf n SER 3 Ca -0.10 -2.75 -0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1whf n SER 3 Cb 0.37 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1whf n SER 3 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1whf n PHE 4 N 2.06 0.08 -1.78 7.33 -1.74 -1.26 -5.09 117.46 117.06 1whf n PHE 4 Ca 0.21 -0.25 -0.35 0.00 -0.56 0.00 0.00 57.45 56.49 1whf n PHE 4 Cb 0.54 -0.18 -0.03 0.00 1.52 0.00 0.00 39.48 41.32 1whf n PHE 4 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1whf s LEU 5 N -0.09 3.32 -0.29 5.98 0.20 -1.26 -4.57 118.68 121.96 1whf s LEU 5 Ca 0.02 0.63 0.01 0.00 0.69 0.00 0.00 54.13 55.47 1whf s LEU 5 Cb 0.01 -2.52 0.20 0.00 -0.43 0.00 0.00 46.19 43.45 1whf s LEU 5 CO 0.00 -2.73 0.73 0.68 -0.29 0.00 0.00 176.35 174.74 1whf s VAL 8 N 10.96 -0.78 0.58 1.68 -7.23 -1.26 -5.11 120.40 119.25 1whf s VAL 8 Ca 0.83 0.00 0.38 0.00 -1.81 0.00 0.00 61.98 61.38 1whf s VAL 8 Cb -0.14 -0.77 0.55 0.00 0.56 0.00 0.00 36.38 36.58 1whf s VAL 8 CO 0.21 0.00 1.42 1.17 -0.31 0.00 0.00 175.10 177.59 1whf n LYS 9 N 5.32 0.01 -2.02 4.82 0.00 -1.26 -4.85 118.16 120.18 1whf n LYS 9 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 58.31 59.42 1whf n LYS 9 Cb 0.55 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.06 1whf n LYS 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1whf n GLN 10 N -3.55 -5.33 0.00 1.64 7.27 -1.26 -5.02 117.38 111.12 1whf n GLN 10 Ca 0.33 3.80 0.00 0.00 0.07 0.00 0.00 57.00 61.21 1whf n GLN 10 Cb 1.76 -4.11 0.00 0.00 2.41 0.00 0.00 30.24 30.30 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 1.82 -2.33 3.92 1.69 0.00 -1.26 -5.15 105.19 103.87 1whf n GLY 11 Ca 0.00 0.76 -0.20 0.00 0.00 0.00 0.00 46.02 46.57 1whf n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1whf s ASN 12 N -2.12 5.72 -0.12 1.61 3.84 -1.26 -5.10 114.94 117.51 1whf s ASN 12 Ca 0.00 -0.27 -0.17 0.00 0.21 0.00 0.00 52.86 52.63 1whf s ASN 12 Cb 0.00 -1.24 -0.15 0.00 -0.55 0.00 0.00 41.25 39.31 1whf s ASN 12 CO 0.00 -0.31 0.43 -0.07 -2.79 0.00 0.00 177.10 174.36 1whf h LEU 13 N 1.13 0.00 1.27 3.21 4.07 -1.97 -3.47 115.31 119.55 1whf h LEU 13 Ca -0.47 -0.57 -0.42 0.00 0.08 0.00 0.00 57.88 56.51 1whf h LEU 13 Cb 1.25 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.85 1whf h LEU 13 CO 0.57 0.80 -0.40 0.54 -1.08 0.00 0.00 178.44 178.87 1whf n ARG 15 N -4.68 -1.45 0.00 1.13 1.74 -1.26 -4.74 116.66 107.40 1whf n ARG 15 Ca -0.06 1.19 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1whf n ARG 15 Cb 0.28 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.13 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 0.06 0.00 0.00 -0.00 -1.26 -4.71 117.00 111.09 1whf n LEU 18 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1whf n LEU 18 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1whf n LEU 18 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 177.39 177.40 1whf n ALA 21 N -1.18 0.00 0.00 1.96 0.00 -1.26 -5.11 120.51 114.92 1whf n ALA 21 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1whf n ALA 21 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -4.39 0.00 7.64 -1.26 -4.57 113.62 111.04 1whf n SER 23 Ca 0.00 -0.15 -0.45 0.00 1.01 0.00 0.00 58.87 59.28 1whf n SER 23 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1whf n SER 23 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1whf s LEU 24 N 0.00 5.63 0.00 -3.43 2.01 -1.26 -4.62 118.68 117.01 1whf s LEU 24 Ca 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 54.13 52.16 1whf s LEU 24 Cb 0.00 -2.31 0.00 0.00 0.01 0.00 0.00 46.19 43.89 1whf s LEU 24 CO 0.00 -0.96 0.00 0.00 1.01 0.00 0.00 176.35 176.40 1whf n ALA 27 N 5.79 0.00 -0.18 4.21 0.00 -1.26 -5.01 120.51 124.06 1whf n ALA 27 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1whf n ALA 27 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.35 0.00 0.00 1.85 -1.26 -3.06 116.66 114.54 1whf n ARG 28 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1whf n ARG 28 Cb 0.00 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 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 2.08 0.00 -3.47 8.89 0.31 -1.26 -4.90 118.33 119.98 1whf n VAL 30 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1whf n VAL 30 Cb 0.17 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 -0.63 -0.04 3.52 -1.74 -1.17 -4.96 117.46 112.43 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 -1.17 -0.37 -0.40 5.98 9.92 -1.26 -4.79 116.55 124.45 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 0.04 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 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 2.38 2.52 0.00 2.24 0.00 -1.26 -0.80 120.51 125.59 1whf n ALA 34 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 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 -0.11 0.00 -0.41 0.00 1.13 -1.26 -3.71 117.38 113.03 1whf n GLN 36 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.96 1whf n GLN 36 Cb 0.20 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.46 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 -0.03 5.09 1.35 -1.27 1.00 112.91 119.05 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 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1whf h THR 37 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 1whf n ASP 38 N -5.26 1.44 0.00 5.36 -0.08 -1.24 -2.97 116.55 113.80 1whf n ASP 38 Ca 0.02 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.26 1whf n ASP 38 Cb 0.27 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 43.22 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 0.08 0.00 -0.01 -0.67 7.35 0.35 0.87 117.46 125.43 1whf n PHE 40 Ca 0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1whf n PHE 40 Cb 0.32 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.15 1whf n PHE 40 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1whf h TRP 41 N 0.00 0.00 -0.39 -5.13 -0.00 -1.53 -2.95 115.95 105.94 1whf h TRP 41 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.89 58.97 1whf h TRP 41 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 29.07 1whf h TRP 41 CO 0.00 0.00 -0.27 0.77 -0.00 0.00 0.00 178.44 178.94 1whf h SER 42 N -0.12 -0.89 0.17 -3.49 0.02 0.21 0.67 113.55 110.12 1whf h SER 42 Ca 0.00 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1whf h SER 42 Cb 0.01 0.44 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1whf h SER 42 CO 0.00 -0.28 -0.10 0.50 -1.14 0.00 0.00 176.83 175.80 1whf h LYS 43 N -0.20 0.00 0.00 3.45 3.64 -1.78 -3.35 116.57 118.32 1whf h LYS 43 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1whf h LYS 43 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1whf h LYS 43 CO -0.51 0.10 0.00 0.98 -2.27 0.00 0.00 179.45 177.75 1whf n TYR 44 N -4.03 0.00 -2.65 1.91 9.36 0.20 -4.70 117.16 117.25 1whf n TYR 44 Ca -0.02 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.03 1whf n TYR 44 Cb 0.19 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.87 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 0.00 -1.06 0.00 2.98 -0.00 0.64 -4.52 118.16 116.21 1whf n LYS 45 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1whf n LYS 45 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 35.03 32.85 1whf n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1whf n ASP 46 N -0.71 2.69 -3.90 -5.58 -0.08 -1.26 -5.01 116.55 102.69 1whf n ASP 46 Ca 0.05 -0.03 -0.25 0.00 -1.51 0.00 0.00 54.79 53.04 1whf n ASP 46 Cb 0.21 0.60 -0.01 0.00 2.34 0.00 0.00 41.12 44.27 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 1.41 -0.25 0.00 0.27 0.00 -1.26 -4.93 105.19 100.43 1whf n GLY 47 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.99 0.00 -1.50 1.61 -0.08 -1.26 -4.48 116.55 107.85 1whf n ASP 48 Ca -0.29 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 52.91 1whf n ASP 48 Cb 0.67 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.14 1whf n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1whf n GLN 49 N 0.00 -0.38 0.00 -0.67 6.02 -1.26 -1.50 117.38 119.59 1whf n GLN 49 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1whf n GLN 49 Cb 0.00 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1whf h GLU 51 N 0.00 -0.39 0.00 0.00 4.22 -1.49 -1.43 114.58 115.50 1whf h GLU 51 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1whf h GLU 51 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1whf h GLU 51 CO 0.00 -0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.03 1whf n GLY 52 N -1.06 -0.54 1.14 1.92 0.00 -1.26 -4.81 105.19 100.58 1whf n GLY 52 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.48 0.00 -0.28 1.61 -0.00 -0.54 -4.95 115.22 109.59 1whf n HIS 53 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1whf n HIS 53 Cb 0.02 -2.11 0.25 0.00 -0.12 0.00 0.00 29.99 28.04 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 0.00 0.97 -6.77 1.57 0.10 -1.88 -3.43 132.00 122.56 1whf h PRO 54 Ca 0.00 -0.06 -0.45 0.00 0.10 0.00 0.00 66.00 65.59 1whf h PRO 54 Cb 0.96 -0.22 0.05 0.00 0.10 0.00 0.00 31.00 31.89 1whf h PRO 54 CO 0.00 0.64 -0.06 0.00 0.10 0.00 0.00 178.00 178.68 1whf n LEU 56 N -2.34 0.00 -3.81 0.00 4.77 0.20 -4.88 117.00 110.94 1whf n LEU 56 Ca 0.12 -1.41 -0.34 0.00 -0.03 0.00 0.00 56.01 54.35 1whf n LEU 56 Cb 0.60 1.32 0.03 0.00 -2.33 0.00 0.00 43.42 43.04 1whf n LEU 56 CO 0.42 -0.33 -0.11 0.59 -1.33 0.00 0.00 177.39 176.62 1whf n ASN 57 N -1.83 -4.98 -2.23 -1.43 5.03 -1.26 -0.21 115.26 108.36 1whf n ASN 57 Ca -0.00 -1.06 -0.10 0.00 0.87 0.00 0.00 54.58 54.28 1whf n ASN 57 Cb 0.29 -2.60 -0.01 0.00 -1.02 0.00 0.00 39.78 36.44 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 -4.12 -2.13 -2.01 3.52 1.13 -1.26 -4.66 117.38 107.85 1whf n GLN 58 Ca -0.13 0.53 -0.42 0.00 -1.94 0.00 0.00 57.00 55.04 1whf n GLN 58 Cb 0.59 -5.04 -0.03 0.00 0.11 0.00 0.00 30.24 25.88 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 -2.00 2.03 0.16 1.08 0.00 0.71 -4.57 107.32 104.74 1whf s GLY 59 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.73 1whf s GLY 59 CO 0.00 2.40 0.98 -1.58 0.00 0.00 0.00 173.10 174.90 1whf s HIS 60 N 0.50 3.81 0.14 1.90 2.46 -0.65 -4.77 115.29 118.68 1whf s HIS 60 Ca 0.63 1.79 0.11 0.00 0.47 0.00 0.00 55.06 58.06 1whf s HIS 60 Cb -0.42 -3.08 -0.04 0.00 -0.13 0.00 0.00 32.58 28.91 1whf s HIS 60 CO 0.38 0.11 -0.26 0.00 -2.47 0.00 0.00 174.74 172.49 1whf s LYS 62 N -2.17 1.45 0.00 0.00 1.02 0.87 -4.94 119.74 115.96 1whf s LYS 62 Ca 0.15 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.50 1whf s LYS 62 Cb -0.10 -1.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.85 1whf s LYS 62 CO 0.07 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 1whf n GLY 64 N -0.40 3.13 2.46 -3.33 0.00 -1.13 -1.00 105.19 104.92 1whf n GLY 64 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -0.61 -6.64 -1.26 -1.89 119.36 108.96 1whf n ILE 65 Ca 0.00 -0.39 0.00 0.00 -1.77 0.00 0.00 62.75 60.59 1whf n ILE 65 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 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 2.28 3.06 0.00 3.28 0.00 -1.26 -4.89 105.19 107.66 1whf n GLY 66 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.19 0.00 -3.42 1.61 5.75 -0.79 -5.14 116.55 115.75 1whf n ASP 67 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1whf n ASP 67 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 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 -3.77 -1.35 -0.35 2.11 1.13 -1.26 -2.84 117.35 111.02 1whf s TYR 68 Ca 0.00 1.87 -0.29 0.00 -1.41 0.00 0.00 57.07 57.24 1whf s TYR 68 Cb 0.00 0.59 0.02 0.00 -1.10 0.00 0.00 41.96 41.47 1whf s TYR 68 CO 0.00 -0.74 1.11 0.95 -2.51 0.00 0.00 175.55 174.35 1whf s THR 69 N 2.82 4.42 0.15 -3.49 -4.23 -0.17 -4.72 115.64 110.42 1whf s THR 69 Ca 0.07 1.61 0.02 0.00 -1.18 0.00 0.00 61.69 62.21 1whf s THR 69 Cb -0.14 -4.43 0.02 0.00 1.34 0.00 0.00 72.50 69.29 1whf s THR 69 CO -0.19 -0.58 0.18 0.00 -0.54 0.00 0.00 174.62 173.49 1whf s THR 71 N -0.19 0.00 -0.32 0.00 2.01 0.44 -4.91 115.64 112.67 1whf s THR 71 Ca 0.14 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 1whf s THR 71 Cb -0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.51 1whf s THR 71 CO 0.09 0.00 0.99 0.00 -0.69 0.00 0.00 174.62 175.00 1whf n ALA 73 N 6.68 -3.18 -2.25 0.00 0.00 -1.26 -4.54 120.51 115.95 1whf n ALA 73 Ca 0.09 -1.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.02 1whf n ALA 73 Cb 0.47 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.47 2.89 0.00 0.00 2.12 -1.26 -1.55 118.70 118.43 1whf s GLU 74 Ca 0.34 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1whf s GLU 74 Cb 0.03 -4.29 0.00 0.00 0.26 0.00 0.00 34.13 30.12 1whf s GLU 74 CO 0.52 -2.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.19 1whf n GLY 75 N 5.55 1.99 3.21 -1.50 0.00 -1.26 -4.97 105.19 108.22 1whf n GLY 75 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 1.48 0.21 1.61 0.40 -0.59 0.23 117.98 119.31 1whf s PHE 76 Ca 0.00 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.77 1whf s PHE 76 Cb 0.00 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.70 1whf s PHE 76 CO 0.00 0.11 0.45 -1.21 0.70 0.00 0.00 175.22 175.27 1whf s GLU 77 N -1.64 1.39 0.00 0.44 2.02 -1.19 -4.35 118.70 115.36 1whf s GLU 77 Ca 0.02 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1whf s GLU 77 Cb -0.10 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1whf s GLU 77 CO 0.03 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1whf n GLY 78 N -0.32 2.39 0.33 -1.39 0.00 -1.26 -1.71 105.19 103.22 1whf n GLY 78 Ca -0.07 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.05 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 0.43 0.00 1.61 1.63 -2.01 -1.77 116.57 116.46 1whf h LYS 79 Ca 0.00 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1whf h LYS 79 Cb 0.00 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 1whf h LYS 79 CO 0.00 0.28 -0.44 0.09 -3.45 0.00 0.00 179.45 175.93 1whf n ASN 80 N -4.47 1.75 -0.60 4.20 3.02 -1.26 -4.91 115.26 112.99 1whf n ASN 80 Ca 0.07 -3.56 -0.08 0.00 -0.03 0.00 0.00 54.58 50.98 1whf n ASN 80 Cb 0.25 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.76 -0.03 -0.85 0.00 2.13 -0.77 -4.10 120.64 116.26 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 0.51 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.53 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 -4.16 -1.34 -3.62 4.31 3.72 -0.70 -4.73 117.46 110.95 1whf n PHE 83 Ca 0.27 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.40 1whf n PHE 83 Cb 1.03 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.41 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 -0.78 2.78 -0.62 4.37 0.01 -1.26 -3.19 113.70 115.01 1whf s SER 84 Ca 0.00 -0.84 -0.26 0.00 1.31 0.00 0.00 55.95 56.16 1whf s SER 84 Cb 0.00 -0.35 -0.08 0.00 0.21 0.00 0.00 66.02 65.80 1whf s SER 84 CO 0.00 -0.37 2.29 0.42 0.41 0.00 0.00 173.24 176.00 1whf s THR 85 N 2.07 3.09 0.00 1.44 -4.23 0.64 -4.76 115.64 113.89 1whf s THR 85 Ca 0.03 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 1whf s THR 85 Cb -0.16 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1whf s THR 85 CO -0.16 -0.22 0.00 0.54 -0.54 0.00 0.00 174.62 174.24