#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 -1.60 -4.89 0.00 5.03 -1.26 -4.82 115.26 107.72 1whf n ASN 2 Ca 0.00 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.16 1whf n ASN 2 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 1whf n ASN 2 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1whf s SER 3 N -4.00 6.43 0.55 6.41 0.15 -1.26 -4.95 113.70 117.03 1whf s SER 3 Ca 0.00 1.06 0.33 0.00 0.70 0.00 0.00 55.95 58.04 1whf s SER 3 Cb 0.00 -2.30 1.42 0.00 -1.71 0.00 0.00 66.02 63.44 1whf s SER 3 CO 0.00 -0.46 2.01 0.15 1.20 0.00 0.00 173.24 176.14 1whf h PHE 4 N 0.92 0.00 -2.54 3.44 3.04 -2.05 -3.49 116.94 116.25 1whf h PHE 4 Ca -0.47 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 60.93 1whf h PHE 4 Cb 1.19 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1whf h PHE 4 CO 0.60 0.03 1.17 -0.51 -2.02 0.00 0.00 178.31 177.58 1whf s LEU 5 N -6.29 4.12 -0.30 0.59 1.43 -1.26 -4.91 118.68 112.06 1whf s LEU 5 Ca 0.00 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 1whf s LEU 5 Cb 0.10 -3.53 0.18 0.00 0.03 0.00 0.00 46.19 42.96 1whf s LEU 5 CO 0.54 -1.16 1.12 0.54 0.23 0.00 0.00 176.35 177.62 1whf s VAL 8 N 4.94 -0.12 -0.45 -1.59 0.11 -1.26 -5.08 120.40 116.95 1whf s VAL 8 Ca 0.79 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 1whf s VAL 8 Cb -0.33 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.55 1whf s VAL 8 CO 0.32 0.00 0.81 1.17 -3.33 0.00 0.00 175.10 174.08 1whf n LYS 9 N 3.97 1.09 -1.60 1.54 4.81 -1.15 -4.97 118.16 121.84 1whf n LYS 9 Ca -0.14 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.19 1whf n LYS 9 Cb 0.56 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.34 1whf n LYS 9 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1whf n GLN 10 N 0.25 -4.43 0.00 1.64 0.00 -1.26 -4.93 117.38 108.65 1whf n GLN 10 Ca 0.02 3.36 0.00 0.00 -0.00 0.00 0.00 57.00 60.37 1whf n GLN 10 Cb 0.42 -3.95 0.00 0.00 0.00 0.00 0.00 30.24 26.72 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 -1.62 0.45 4.50 1.69 0.00 -1.26 -4.88 105.19 104.07 1whf n GLY 11 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1whf n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1whf n ASN 12 N 0.00 -1.50 0.00 1.61 6.94 -1.26 -4.97 115.26 116.08 1whf n ASN 12 Ca 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 1whf n ASN 12 Cb 0.00 -1.66 0.00 0.00 -2.36 0.00 0.00 39.78 35.76 1whf n ASN 12 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1whf n LEU 13 N -4.15 0.00 0.00 -4.53 -0.00 -1.26 -4.63 117.00 102.43 1whf n LEU 13 Ca 0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 1whf n LEU 13 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1whf n LEU 13 CO 0.95 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 178.88 1whf n ARG 15 N -0.52 0.00 -0.06 1.96 1.74 -1.26 -5.05 116.66 113.47 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 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 1.47 0.00 0.00 0.00 0.00 -1.26 -4.20 117.00 113.00 1whf n LEU 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1whf n LEU 18 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1whf n LEU 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.39 1whf n ALA 21 N -0.34 0.00 -3.07 1.96 0.00 -1.26 -5.12 120.51 112.69 1whf n ALA 21 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1whf n ALA 21 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.76 4.53 -1.71 0.00 3.41 -1.26 -4.94 113.62 111.88 1whf n SER 23 Ca -0.00 -3.27 -0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1whf n SER 23 Cb 0.04 -0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1whf n SER 23 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1whf n LEU 24 N -0.31 -2.97 -2.64 1.04 7.99 -1.26 -5.13 117.00 113.73 1whf n LEU 24 Ca 0.40 0.34 -0.16 0.00 -0.01 0.00 0.00 56.01 56.57 1whf n LEU 24 Cb 1.33 -1.43 0.06 0.00 -0.11 0.00 0.00 43.42 43.27 1whf n LEU 24 CO 0.40 -0.66 0.16 0.00 -1.51 0.00 0.00 177.39 175.78 1whf n ALA 27 N 0.21 -0.96 0.67 -1.18 0.00 -1.26 -4.99 120.51 113.00 1whf n ALA 27 Ca -0.03 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1whf n ALA 27 Cb 0.05 -3.70 -0.02 0.00 0.00 0.00 0.00 19.45 15.78 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 -3.55 1.87 0.00 0.00 1.74 -1.26 -4.80 116.66 110.66 1whf n ARG 28 Ca -0.02 -0.59 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 1whf n ARG 28 Cb 0.55 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 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 -0.42 0.00 -0.63 1.55 3.14 -1.26 -4.66 118.33 116.04 1whf n VAL 30 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1whf n VAL 30 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 1whf n VAL 30 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1whf n PHE 31 N -0.02 -2.60 -3.10 1.45 3.01 -1.26 -5.08 117.46 109.85 1whf n PHE 31 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1whf n PHE 31 Cb 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1whf n PHE 31 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1whf n ASP 33 N -1.98 -6.94 -0.95 4.37 9.92 -1.26 -4.14 116.55 115.57 1whf n ASP 33 Ca 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1whf n ASP 33 Cb 0.00 -3.50 0.00 0.00 -0.64 0.00 0.00 41.12 36.98 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 0.20 0.00 0.00 2.24 0.00 -1.26 0.14 120.51 121.83 1whf n ALA 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1whf n ALA 34 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.23 0.00 -0.33 0.00 6.02 -1.26 -3.06 117.38 118.97 1whf n GLN 36 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1whf n GLN 36 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1whf n GLN 36 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1whf n THR 37 N 0.00 -0.54 1.40 5.09 -1.04 0.38 0.19 114.28 119.75 1whf n THR 37 Ca 0.00 1.93 0.01 0.00 -2.04 0.00 0.00 64.05 63.95 1whf n THR 37 Cb 0.00 -2.39 0.04 0.00 -1.82 0.00 0.00 70.33 66.16 1whf n THR 37 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1whf n ASP 38 N -5.00 0.81 0.00 8.00 9.92 -1.17 -2.79 116.55 126.32 1whf n ASP 38 Ca 0.02 -2.04 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1whf n ASP 38 Cb 0.21 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1whf n ASP 38 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1whf n PHE 40 N -0.15 0.00 0.00 1.24 -0.00 0.49 0.16 117.46 119.20 1whf n PHE 40 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1whf n PHE 40 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.65 1whf n PHE 40 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 1whf n TRP 41 N 0.00 0.00 -0.02 -5.13 -0.00 -0.97 -3.19 117.44 108.12 1whf n TRP 41 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.40 1whf n TRP 41 Cb 0.00 -0.33 -0.06 0.00 -0.00 0.00 0.00 31.31 30.92 1whf n TRP 41 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1whf h SER 42 N 0.00 -1.14 -0.13 5.87 4.64 0.14 0.56 113.55 123.48 1whf h SER 42 Ca 0.00 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1whf h SER 42 Cb 0.00 0.45 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1whf h SER 42 CO 0.00 -0.30 0.41 0.50 -0.87 0.00 0.00 176.83 176.57 1whf h LYS 43 N -0.35 0.00 0.00 4.77 3.64 -1.80 -3.24 116.57 119.59 1whf h LYS 43 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1whf h LYS 43 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1whf h LYS 43 CO -0.31 0.00 0.00 0.98 -2.27 0.00 0.00 179.45 177.85 1whf n TYR 44 N -3.11 0.00 -2.61 1.91 9.36 0.18 -4.69 117.16 118.21 1whf n TYR 44 Ca 0.01 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 1whf n TYR 44 Cb 0.50 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.18 1whf n TYR 44 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1whf n LYS 45 N 0.00 -1.64 0.00 2.98 5.02 -0.51 -4.50 118.16 119.51 1whf n LYS 45 Ca 0.00 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1whf n LYS 45 Cb 0.00 -3.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.94 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 -1.17 2.15 -3.71 4.39 2.03 -1.26 -5.03 116.55 113.94 1whf n ASP 46 Ca 0.04 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.02 1whf n ASP 46 Cb 0.32 0.39 0.04 0.00 -0.72 0.00 0.00 41.12 41.15 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 1.16 -0.99 0.00 0.27 0.00 -1.26 -4.94 105.19 99.44 1whf n GLY 47 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.62 0.00 0.00 1.61 2.03 -1.26 -4.62 116.55 111.69 1whf n ASP 48 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1whf n ASP 48 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 0.00 0.00 -0.67 3.00 -1.26 -1.17 117.38 117.27 1whf n GLN 49 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1whf n GLN 49 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.38 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 3.61 0.00 -0.98 0.00 4.57 -1.40 -1.49 114.58 118.88 1whf h GLU 51 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1whf h GLU 51 Cb 0.85 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.36 1whf h GLU 51 CO 0.00 0.00 0.17 0.41 -1.18 0.00 0.00 179.01 178.41 1whf n GLY 52 N -1.45 2.62 4.18 1.92 0.00 -1.26 -4.85 105.19 106.35 1whf n GLY 52 Ca 0.04 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 0.03 -1.38 -0.24 1.61 -0.00 -0.56 -4.78 115.22 109.90 1whf n HIS 53 Ca 0.17 0.47 0.07 0.00 0.46 0.00 0.00 57.72 58.88 1whf n HIS 53 Cb 0.80 -2.95 0.32 0.00 -0.12 0.00 0.00 29.99 28.05 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 -2.04 0.80 -7.02 1.57 0.11 -1.88 -3.42 132.00 120.11 1whf h PRO 54 Ca -0.67 -0.05 -0.45 0.00 0.11 0.00 0.00 66.00 64.94 1whf h PRO 54 Cb 1.40 -0.18 0.06 0.00 0.11 0.00 0.00 31.00 32.38 1whf h PRO 54 CO 0.64 0.53 0.08 0.00 -0.21 0.00 0.00 178.00 179.04 1whf n LEU 56 N -2.54 0.00 -3.96 0.00 4.77 0.17 -4.83 117.00 110.61 1whf n LEU 56 Ca 0.06 -1.12 -0.37 0.00 -0.03 0.00 0.00 56.01 54.56 1whf n LEU 56 Cb 0.59 0.87 0.01 0.00 -2.33 0.00 0.00 43.42 42.56 1whf n LEU 56 CO 0.49 -0.23 -0.21 0.59 -1.33 0.00 0.00 177.39 176.70 1whf n ASN 57 N -2.11 -4.44 -2.98 -1.43 3.02 -1.25 0.67 115.26 106.75 1whf n ASN 57 Ca 0.01 -1.16 -0.19 0.00 -0.03 0.00 0.00 54.58 53.21 1whf n ASN 57 Cb 0.22 -1.64 -0.00 0.00 -0.61 0.00 0.00 39.78 37.76 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 -3.97 -3.13 -2.77 3.52 1.13 -1.26 -4.60 117.38 106.29 1whf n GLN 58 Ca -0.21 0.56 -0.42 0.00 -1.94 0.00 0.00 57.00 55.00 1whf n GLN 58 Cb 0.62 -5.25 -0.03 0.00 0.11 0.00 0.00 30.24 25.70 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 -2.46 2.54 0.79 1.08 0.00 0.21 -4.53 107.32 104.96 1whf s GLY 59 Ca 0.24 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 45.19 1whf s GLY 59 CO 0.29 1.72 1.14 0.30 0.00 0.00 0.00 173.10 176.55 1whf s HIS 60 N 1.54 2.99 -0.24 1.90 3.76 -0.37 -4.57 115.29 120.30 1whf s HIS 60 Ca 0.47 0.88 -0.12 0.00 -0.15 0.00 0.00 55.06 56.14 1whf s HIS 60 Cb -0.19 -3.33 0.08 0.00 1.11 0.00 0.00 32.58 30.25 1whf s HIS 60 CO 0.21 -1.68 0.57 0.00 -0.85 0.00 0.00 174.74 172.98 1whf s LYS 62 N 1.91 3.46 0.00 0.00 -0.14 0.65 -4.88 119.74 120.75 1whf s LYS 62 Ca -0.08 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 1whf s LYS 62 Cb -0.08 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 1whf s LYS 62 CO -0.17 0.16 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 1whf n GLY 64 N -1.76 3.68 2.70 -3.33 0.00 -1.15 -1.41 105.19 103.93 1whf n GLY 64 Ca -0.05 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.86 119.36 108.99 1whf n ILE 65 Ca 0.00 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.54 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 3.15 2.60 0.00 3.28 0.00 -1.26 -4.82 105.19 108.13 1whf n GLY 66 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.98 0.00 -0.72 1.61 5.75 -0.78 -5.04 116.55 119.36 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 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 2.60 -0.70 -3.80 2.11 4.11 -1.26 -2.91 117.16 117.31 1whf n TYR 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1whf n TYR 68 Cb 0.00 0.00 -0.09 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 -2.97 0.08 0.01 -3.48 -4.23 -0.50 -4.97 115.64 99.58 1whf s THR 69 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1whf s THR 69 Cb 0.00 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1whf s THR 69 CO 0.00 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.72 1whf s THR 71 N -0.73 -0.94 0.20 0.00 2.01 0.14 -4.77 115.64 111.55 1whf s THR 71 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1whf s THR 71 Cb -0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.44 1whf s THR 71 CO 0.00 0.00 0.94 0.00 -0.69 0.00 0.00 174.62 174.87 1whf n ALA 73 N 1.90 -1.32 -2.60 0.00 0.00 -1.26 -4.87 120.51 112.35 1whf n ALA 73 Ca -0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 1whf n ALA 73 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -4.16 3.29 0.00 0.00 2.12 -1.26 -2.58 118.70 116.11 1whf s GLU 74 Ca 0.32 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1whf s GLU 74 Cb -0.03 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1whf s GLU 74 CO 0.24 -1.91 0.00 0.41 -0.54 0.00 0.00 175.26 173.46 1whf n GLY 75 N 5.25 1.86 3.63 -1.50 0.00 -1.26 -4.86 105.19 108.31 1whf n GLY 75 Ca 0.04 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 -1.96 2.55 0.23 1.61 0.40 -1.06 0.13 117.98 119.88 1whf s PHE 76 Ca 0.00 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 55.74 1whf s PHE 76 Cb 0.00 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 42.13 1whf s PHE 76 CO 0.00 0.50 0.61 -2.00 0.70 0.00 0.00 175.22 175.03 1whf s GLU 77 N -3.70 1.56 0.00 0.44 2.12 0.40 -4.69 118.70 114.83 1whf s GLU 77 Ca 0.34 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1whf s GLU 77 Cb -0.01 0.56 0.00 0.00 0.26 0.00 0.00 34.13 34.94 1whf s GLU 77 CO 0.19 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1whf n GLY 78 N -0.40 1.19 0.30 -1.50 0.00 -1.26 -0.72 105.19 102.80 1whf n GLY 78 Ca -0.07 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.15 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 0.49 -0.20 1.61 1.63 -2.01 -1.78 116.57 116.32 1whf h LYS 79 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1whf h LYS 79 Cb 0.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1whf h LYS 79 CO 0.00 0.34 -0.03 0.09 -3.45 0.00 0.00 179.45 176.40 1whf n ASN 80 N -4.47 3.16 0.00 4.20 3.02 -1.26 -4.90 115.26 115.01 1whf n ASN 80 Ca 0.03 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1whf n ASN 80 Cb 0.07 -0.53 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 -1.35 -0.07 -2.69 0.00 2.13 -0.22 -2.96 120.64 115.49 1whf n GLU 82 Ca 0.00 1.33 -0.43 0.00 0.66 0.00 0.00 57.16 58.72 1whf n GLU 82 Cb 0.17 -2.09 -0.01 0.00 0.27 0.00 0.00 31.44 29.78 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 -5.89 2.90 -0.88 4.31 0.08 0.10 -4.87 117.98 113.73 1whf s PHE 83 Ca -0.12 -1.51 -0.25 0.00 0.12 0.00 0.00 56.93 55.18 1whf s PHE 83 Cb 0.25 -4.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.07 1whf s PHE 83 CO 0.69 -1.73 1.88 -1.54 -0.10 0.00 0.00 175.22 174.42 1whf s SER 84 N 4.07 5.31 0.33 1.36 1.04 -1.16 -0.45 113.70 124.21 1whf s SER 84 Ca 0.47 -0.63 0.23 0.00 0.48 0.00 0.00 55.95 56.50 1whf s SER 84 Cb 0.01 -2.56 1.20 0.00 0.10 0.00 0.00 66.02 64.77 1whf s SER 84 CO 0.00 -2.56 1.69 0.35 0.98 0.00 0.00 173.24 173.70 1whf n THR 85 N 7.67 0.99 0.88 2.02 -2.24 0.35 -4.92 114.28 119.03 1whf n THR 85 Ca 0.36 0.71 0.07 0.00 -2.27 0.00 0.00 64.05 62.92 1whf n THR 85 Cb 0.48 -1.70 0.42 0.00 -2.10 0.00 0.00 70.33 67.42 1whf n THR 85 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39