#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 -6.35 -4.56 0.00 2.85 -1.26 -4.69 115.26 101.25 1whf n ASN 2 Ca 0.00 -0.25 -0.22 0.00 -0.11 0.00 0.00 54.58 54.01 1whf n ASN 2 Cb 0.00 -3.30 -0.06 0.00 1.24 0.00 0.00 39.78 37.66 1whf n ASN 2 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1whf s SER 3 N -2.54 4.65 0.23 1.20 1.04 -1.26 -4.73 113.70 112.31 1whf s SER 3 Ca 0.15 -0.37 0.09 0.00 0.48 0.00 0.00 55.95 56.29 1whf s SER 3 Cb -0.02 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.76 1whf s SER 3 CO 0.83 -3.18 1.53 0.15 0.98 0.00 0.00 173.24 173.55 1whf h PHE 4 N 11.93 0.05 -2.67 5.02 3.57 -1.99 -3.48 116.94 129.39 1whf h PHE 4 Ca 0.05 -0.02 -0.54 0.00 3.53 0.00 0.00 57.97 60.99 1whf h PHE 4 Cb 1.01 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 1whf h PHE 4 CO 1.19 0.73 1.09 -1.17 -2.23 0.00 0.00 178.31 177.92 1whf s LEU 5 N -7.47 3.33 -0.29 0.59 0.20 -1.26 -4.60 118.68 109.17 1whf s LEU 5 Ca -0.01 0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.87 1whf s LEU 5 Cb 0.12 -2.88 0.19 0.00 -0.43 0.00 0.00 46.19 43.19 1whf s LEU 5 CO 0.78 -1.77 0.69 0.68 -0.29 0.00 0.00 176.35 176.44 1whf s VAL 8 N 6.08 -0.84 0.55 1.68 -7.23 -1.26 -5.13 120.40 114.25 1whf s VAL 8 Ca 0.47 0.00 0.45 0.00 -1.81 0.00 0.00 61.98 61.10 1whf s VAL 8 Cb -0.10 -0.87 0.67 0.00 0.56 0.00 0.00 36.38 36.65 1whf s VAL 8 CO 0.22 0.00 1.47 1.17 -0.31 0.00 0.00 175.10 177.65 1whf n LYS 9 N 5.37 0.00 -3.88 4.82 3.00 -1.26 -4.61 118.16 121.60 1whf n LYS 9 Ca 0.04 1.04 -0.03 0.00 -0.00 0.00 0.00 58.31 59.36 1whf n LYS 9 Cb 0.54 -2.43 0.02 0.00 0.00 0.00 0.00 35.03 33.16 1whf n LYS 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1whf s GLN 10 N -4.72 1.32 -0.23 1.64 0.74 -1.26 -5.01 119.66 112.14 1whf s GLN 10 Ca -0.04 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.53 1whf s GLN 10 Cb 0.24 0.37 0.24 0.00 1.10 0.00 0.00 33.01 34.96 1whf s GLN 10 CO 0.80 -0.62 1.65 0.41 -0.55 0.00 0.00 175.29 176.99 1whf n GLY 11 N -0.69 3.42 3.68 2.59 0.00 -1.26 -4.88 105.19 108.05 1whf n GLY 11 Ca -0.03 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 0.19 4.88 -0.31 1.61 3.84 -1.26 -5.13 114.94 118.75 1whf s ASN 12 Ca 0.25 -0.34 0.16 0.00 0.21 0.00 0.00 52.86 53.15 1whf s ASN 12 Cb 0.21 -1.08 0.44 0.00 -0.55 0.00 0.00 41.25 40.27 1whf s ASN 12 CO 0.02 0.10 1.41 0.00 -2.79 0.00 0.00 177.10 175.84 1whf n LEU 13 N -0.06 -0.48 0.00 3.21 -0.00 -1.26 -4.79 117.00 113.62 1whf n LEU 13 Ca -0.10 -3.15 0.00 0.00 -0.00 0.00 0.00 56.01 52.76 1whf n LEU 13 Cb 0.55 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 1whf n LEU 13 CO 0.39 1.49 0.00 0.54 -0.00 0.00 0.00 177.39 179.82 1whf n ARG 15 N -1.24 0.00 -0.09 1.47 1.74 -1.26 -4.44 116.66 112.84 1whf n ARG 15 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1whf n ARG 15 Cb 0.85 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 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 0.00 -0.34 0.00 -0.00 -1.26 -4.85 117.00 110.55 1whf n LEU 18 Ca 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 56.01 56.21 1whf n LEU 18 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 43.42 43.16 1whf n LEU 18 CO 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 177.39 177.34 1whf n ALA 21 N -1.24 -0.07 -3.10 1.96 0.00 -1.26 -4.19 120.51 112.62 1whf n ALA 21 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1whf n ALA 21 Cb 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1whf n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1whf s SER 23 N 0.28 -0.37 -0.04 0.00 1.04 -1.26 -5.03 113.70 108.32 1whf s SER 23 Ca 0.00 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 1whf s SER 23 Cb 0.00 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.90 1whf s SER 23 CO 0.00 -0.12 0.87 0.00 0.98 0.00 0.00 173.24 174.97 1whf n LEU 24 N 2.40 -1.43 -3.78 2.42 -0.00 -1.26 -4.79 117.00 110.57 1whf n LEU 24 Ca -0.13 -1.11 -0.29 0.00 -0.00 0.00 0.00 56.01 54.48 1whf n LEU 24 Cb 0.56 -0.42 0.01 0.00 -0.00 0.00 0.00 43.42 43.58 1whf n LEU 24 CO 0.02 -1.47 -0.15 0.00 -0.00 0.00 0.00 177.39 175.80 1whf n ALA 27 N 4.82 -2.70 0.00 1.47 0.00 -1.26 -5.15 120.51 117.69 1whf n ALA 27 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1whf n ALA 27 Cb 0.40 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.35 6.17 0.00 0.00 1.74 -1.26 -4.95 116.66 115.02 1whf n ARG 28 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1whf n ARG 28 Cb 0.63 -0.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 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 -0.96 0.00 -2.63 1.55 0.31 -1.26 -4.98 118.33 110.36 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 -0.95 3.52 1.16 -1.26 -5.14 117.46 114.78 1whf n PHE 31 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1whf n PHE 31 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1whf n PHE 31 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1whf n ASP 33 N 0.00 -1.81 -0.74 5.98 8.00 -1.26 -4.84 116.55 121.88 1whf n ASP 33 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1whf n ASP 33 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 0.27 2.38 0.00 2.24 0.00 -1.26 -1.07 120.51 123.07 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 0.00 0.00 0.00 0.00 177.50 177.50 1whf n GLN 36 N 0.29 0.00 -0.27 0.00 -0.00 -1.26 -3.74 117.38 112.40 1whf n GLN 36 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 56.90 1whf n GLN 36 Cb 0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 30.24 30.49 1whf n GLN 36 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 1whf h THR 37 N 0.00 0.00 -0.15 -0.39 1.35 -1.42 0.54 112.91 112.84 1whf h THR 37 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1whf h THR 37 Cb 0.00 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 66.39 1whf h THR 37 CO 0.00 0.00 0.07 -0.67 -0.25 0.00 0.00 175.52 174.67 1whf n ASP 38 N -4.84 2.56 0.00 5.36 -0.08 -1.25 -3.41 116.55 114.89 1whf n ASP 38 Ca 0.00 -2.24 0.00 0.00 -1.51 0.00 0.00 54.79 51.04 1whf n ASP 38 Cb 0.23 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.14 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 0.16 0.00 -0.02 -0.67 -0.00 0.19 0.15 117.46 117.26 1whf n PHE 40 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1whf n PHE 40 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.06 1whf n PHE 40 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 1whf h TRP 41 N 0.00 0.00 -0.52 -5.13 -0.00 -1.59 -3.11 115.95 105.60 1whf h TRP 41 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.89 58.48 1whf h TRP 41 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 1whf h TRP 41 CO 0.00 0.00 1.35 0.43 -0.00 0.00 0.00 178.44 180.22 1whf n SER 42 N -3.10 3.44 0.00 -3.49 7.64 0.39 -1.05 113.62 117.44 1whf n SER 42 Ca -0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1whf n SER 42 Cb 0.01 -1.72 0.00 0.00 -1.01 0.00 0.00 64.21 61.48 1whf n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1whf n LYS 43 N 8.24 0.00 0.00 1.43 4.81 -1.26 -5.03 118.16 126.35 1whf n LYS 43 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1whf n LYS 43 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1whf n LYS 43 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1whf n TYR 44 N 0.00 0.00 -2.71 5.64 9.36 -0.21 -4.70 117.16 124.54 1whf n TYR 44 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 1whf n TYR 44 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 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 -1.97 0.00 2.98 5.02 -1.24 -4.50 118.16 118.45 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 -3.62 0.00 0.00 -0.02 0.00 0.00 35.03 31.39 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 -1.39 1.10 -3.86 4.39 -0.08 -1.26 -5.04 116.55 110.41 1whf n ASP 46 Ca 0.03 -0.03 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 1whf n ASP 46 Cb 0.38 0.29 0.03 0.00 2.34 0.00 0.00 41.12 44.16 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 0.62 -0.95 0.00 0.27 0.00 -1.26 -4.92 105.19 98.95 1whf n GLY 47 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.40 0.00 0.00 1.61 2.03 -1.26 -4.67 116.55 111.86 1whf n ASP 48 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1whf n ASP 48 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.49 -0.67 3.00 -1.26 -0.76 117.38 117.20 1whf n GLN 49 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1whf n GLN 49 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 30.24 30.57 1whf n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whf s GLU 51 N -1.47 3.83 0.00 0.00 2.12 0.06 -2.93 118.70 120.31 1whf s GLU 51 Ca 0.48 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1whf s GLU 51 Cb 0.29 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1whf s GLU 51 CO 0.27 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1whf n GLY 52 N 0.46 0.84 2.92 -1.50 0.00 -1.26 -4.36 105.19 102.29 1whf n GLY 52 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.45 0.16 1.61 -0.00 -1.15 -4.94 115.22 106.46 1whf n HIS 53 Ca 0.00 0.91 -0.14 0.00 0.46 0.00 0.00 57.72 58.95 1whf n HIS 53 Cb 0.00 -3.83 -0.08 0.00 -0.12 0.00 0.00 29.99 25.96 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 -0.07 -0.35 -7.29 1.57 0.11 -1.76 -3.43 132.00 120.78 1whf h PRO 54 Ca -0.18 0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.44 1whf h PRO 54 Cb 1.09 0.08 0.16 0.00 0.11 0.00 0.00 31.00 32.44 1whf h PRO 54 CO 0.30 -0.16 0.26 0.00 -0.21 0.00 0.00 178.00 178.19 1whf n LEU 56 N -3.89 0.00 -3.86 0.00 4.77 0.17 -4.82 117.00 109.37 1whf n LEU 56 Ca 0.10 -1.18 -0.38 0.00 -0.03 0.00 0.00 56.01 54.51 1whf n LEU 56 Cb 0.53 0.87 0.03 0.00 -2.33 0.00 0.00 43.42 42.52 1whf n LEU 56 CO 0.52 -0.24 -0.12 0.59 -1.33 0.00 0.00 177.39 176.81 1whf n ASN 57 N -2.15 -4.67 -2.46 -1.43 3.02 -1.25 0.16 115.26 106.48 1whf n ASN 57 Ca 0.01 -1.15 -0.15 0.00 -0.03 0.00 0.00 54.58 53.27 1whf n ASN 57 Cb 0.24 -2.61 -0.01 0.00 -0.61 0.00 0.00 39.78 36.79 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 -4.58 -2.16 -2.80 3.52 1.13 -1.26 -4.27 117.38 106.96 1whf n GLN 58 Ca -0.11 0.70 -0.41 0.00 -1.94 0.00 0.00 57.00 55.24 1whf n GLN 58 Cb 0.58 -5.32 -0.04 0.00 0.11 0.00 0.00 30.24 25.58 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 -2.06 2.86 -0.15 1.08 0.00 0.12 -4.00 107.32 105.19 1whf s GLY 59 Ca 0.01 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1whf s GLY 59 CO 0.02 1.51 1.04 0.30 0.00 0.00 0.00 173.10 175.96 1whf s HIS 60 N 0.72 3.42 0.19 1.90 3.76 0.27 -4.54 115.29 121.01 1whf s HIS 60 Ca 0.47 1.52 -0.09 0.00 -0.15 0.00 0.00 55.06 56.81 1whf s HIS 60 Cb -0.21 -3.24 -0.07 0.00 1.11 0.00 0.00 32.58 30.18 1whf s HIS 60 CO 0.26 -0.41 0.50 0.00 -0.85 0.00 0.00 174.74 174.25 1whf s LYS 62 N -2.61 0.68 0.00 0.00 1.02 0.17 -4.95 119.74 114.05 1whf s LYS 62 Ca 0.44 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.34 1whf s LYS 62 Cb -0.12 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1whf s LYS 62 CO 0.21 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1whf n GLY 64 N 0.58 0.00 1.53 -3.33 0.00 -1.14 0.84 105.19 103.67 1whf n GLY 64 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -3.63 0.00 -0.61 2.08 -1.26 -4.53 119.36 111.42 1whf n ILE 65 Ca 0.00 1.70 0.00 0.00 0.56 0.00 0.00 62.75 65.01 1whf n ILE 65 Cb 0.00 -2.44 0.00 0.00 -0.75 0.00 0.00 39.64 36.45 1whf n ILE 65 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1whf n GLY 66 N -1.44 1.65 0.00 7.39 0.00 -1.26 -4.79 105.19 106.74 1whf n GLY 66 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.09 0.00 -3.64 1.61 5.75 -1.26 -4.93 116.55 116.17 1whf n ASP 67 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.74 1whf n ASP 67 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.89 -1.15 -0.09 2.11 1.13 -1.26 -2.90 117.35 113.30 1whf s TYR 68 Ca 0.00 2.15 -0.24 0.00 -1.41 0.00 0.00 57.07 57.57 1whf s TYR 68 Cb 0.00 0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 1whf s TYR 68 CO 0.00 -0.57 0.76 0.95 -2.51 0.00 0.00 175.55 174.18 1whf s THR 69 N 2.19 4.99 0.07 -3.49 -4.23 0.25 -4.75 115.64 110.66 1whf s THR 69 Ca -0.08 1.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.97 1whf s THR 69 Cb -0.08 -4.09 0.01 0.00 1.34 0.00 0.00 72.50 69.69 1whf s THR 69 CO -0.19 0.18 0.09 0.00 -0.54 0.00 0.00 174.62 174.16 1whf s THR 71 N -0.03 -0.93 -0.20 0.00 2.01 0.11 -4.83 115.64 111.77 1whf s THR 71 Ca 0.06 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 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 0.04 0.00 1.04 0.00 -0.69 0.00 0.00 174.62 175.02 1whf n ALA 73 N 6.05 -2.63 -2.58 0.00 0.00 -1.26 -4.75 120.51 115.34 1whf n ALA 73 Ca 0.11 -1.26 -0.41 0.00 0.00 0.00 0.00 53.44 51.88 1whf n ALA 73 Cb 0.47 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 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 -3.67 3.25 0.00 0.00 2.12 -1.26 -2.53 118.70 116.61 1whf s GLU 74 Ca 0.48 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1whf s GLU 74 Cb -0.09 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.15 1whf s GLU 74 CO 0.49 -2.02 0.00 0.41 -0.54 0.00 0.00 175.26 173.60 1whf n GLY 75 N 5.31 -0.02 3.28 -1.50 0.00 -1.26 -4.92 105.19 106.07 1whf n GLY 75 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.85 1.38 0.27 1.61 0.40 -1.05 0.10 117.98 119.83 1whf s PHE 76 Ca 0.00 -0.75 -0.21 0.00 -0.60 0.00 0.00 56.93 55.38 1whf s PHE 76 Cb 0.00 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.85 1whf s PHE 76 CO 0.00 0.11 0.69 -1.21 0.70 0.00 0.00 175.22 175.52 1whf s GLU 77 N -3.75 1.73 0.00 0.44 2.02 -1.25 -4.65 118.70 113.25 1whf s GLU 77 Ca 0.19 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1whf s GLU 77 Cb 0.02 0.60 0.00 0.00 0.10 0.00 0.00 34.13 34.85 1whf s GLU 77 CO 0.03 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1whf n GLY 78 N -0.45 1.77 0.41 -1.39 0.00 -1.26 -1.55 105.19 102.72 1whf n GLY 78 Ca -0.05 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.47 -0.43 1.61 1.63 -2.00 -1.70 116.57 115.21 1whf h LYS 79 Ca 0.00 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.71 1whf h LYS 79 Cb 0.00 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 31.67 1whf h LYS 79 CO 0.00 -0.31 0.07 0.09 -3.45 0.00 0.00 179.45 175.84 1whf n ASN 80 N -5.43 3.76 -0.35 4.20 3.02 -1.26 -4.87 115.26 114.32 1whf n ASN 80 Ca -0.04 -3.29 -0.05 0.00 -0.03 0.00 0.00 54.58 51.17 1whf n ASN 80 Cb 0.36 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 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 -2.15 0.01 -0.20 0.00 2.13 -1.07 -4.02 120.64 115.34 1whf n GLU 82 Ca -0.05 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1whf n GLU 82 Cb 0.24 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 -3.18 -0.50 -3.22 4.31 3.72 -0.59 -4.90 117.46 113.10 1whf n PHE 83 Ca 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.60 1whf n PHE 83 Cb 1.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 40.00 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 -0.84 -0.70 0.09 4.37 0.01 -1.26 -3.82 113.70 111.54 1whf s SER 84 Ca 0.00 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1whf s SER 84 Cb 0.00 1.60 -0.15 0.00 0.21 0.00 0.00 66.02 67.68 1whf s SER 84 CO 0.00 -0.31 1.64 0.71 0.41 0.00 0.00 173.24 175.69 1whf h THR 85 N 5.97 0.41 0.00 1.44 1.35 -0.61 -3.47 112.91 118.01 1whf h THR 85 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1whf h THR 85 Cb 1.16 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1whf h THR 85 CO 0.20 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.36