#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpk n LYS 2 N 0.00 3.39 -0.39 0.00 2.85 -1.26 -4.52 118.16 118.23 1hpk n LYS 2 Ca 0.00 -4.47 0.00 0.00 -1.05 0.00 0.00 58.31 52.79 1hpk n LYS 2 Cb 0.00 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 31.86 1hpk n LYS 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1hpk n THR 3 N 2.55 1.71 0.00 0.58 -1.04 -1.24 -4.35 114.28 112.49 1hpk n THR 3 Ca 0.24 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1hpk n THR 3 Cb 0.38 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1hpk n THR 3 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hpk n GLY 4 N 1.37 3.11 2.48 3.41 0.00 -1.18 -3.14 105.19 111.25 1hpk n GLY 4 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1hpk n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hpk n ASN 5 N 0.00 6.86 0.00 1.61 4.13 -1.26 -3.15 115.26 123.45 1hpk n ASN 5 Ca 0.00 -2.57 0.00 0.00 1.68 0.00 0.00 54.58 53.69 1hpk n ASN 5 Cb 0.00 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 36.78 1hpk n ASN 5 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hpk n GLY 6 N 3.75 0.89 2.00 7.41 0.00 -1.26 -5.02 105.19 112.97 1hpk n GLY 6 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1hpk n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1hpk n LYS 7 N 0.00 0.00 -3.78 1.61 4.81 -1.19 -5.15 118.16 114.47 1hpk n LYS 7 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1hpk n LYS 7 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1hpk n LYS 7 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1hpk s ASN 8 N -2.93 -0.22 -0.03 3.14 -0.87 -1.19 -5.00 114.94 107.84 1hpk s ASN 8 Ca 0.00 0.30 -0.29 0.00 -1.57 0.00 0.00 52.86 51.30 1hpk s ASN 8 Cb 0.00 0.44 0.10 0.00 -0.02 0.00 0.00 41.25 41.77 1hpk s ASN 8 CO 0.00 -0.27 1.30 -0.72 -2.57 0.00 0.00 177.10 174.84 1hpk s TYR 9 N -0.61 0.02 0.19 2.20 -0.85 -1.26 -3.11 117.35 113.92 1hpk s TYR 9 Ca -0.07 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1hpk s TYR 9 Cb -0.04 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1hpk s TYR 9 CO 0.02 -0.23 0.00 0.54 -1.52 0.00 0.00 175.55 174.36 1hpk n ARG 10 N -0.88 0.00 0.00 -3.49 3.00 -1.26 -4.83 116.66 109.20 1hpk n ARG 10 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 1hpk n ARG 10 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1hpk n ARG 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1hpk n GLY 11 N 1.07 -0.28 0.00 -0.13 0.00 -1.24 -2.62 105.19 101.99 1hpk n GLY 11 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1hpk n GLY 11 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hpk n THR 12 N -0.50 0.20 0.00 2.61 5.66 -1.26 -3.94 114.28 117.04 1hpk n THR 12 Ca 0.00 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1hpk n THR 12 Cb 0.00 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 1hpk n THR 12 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1hpk n MET 13 N -1.28 0.00 0.00 1.09 2.81 -1.08 -4.14 117.12 114.53 1hpk n MET 13 Ca 0.12 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 1hpk n MET 13 Cb 0.20 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1hpk n MET 13 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1hpk n SER 14 N -1.76 0.00 -3.91 7.83 3.41 -1.25 -4.37 113.62 113.56 1hpk n SER 14 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1hpk n SER 14 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1hpk n SER 14 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1hpk s LYS 15 N 0.00 0.13 0.87 4.33 1.02 -1.25 0.06 119.74 124.91 1hpk s LYS 15 Ca 0.00 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1hpk s LYS 15 Cb 0.00 -0.06 0.12 0.00 -0.52 0.00 0.00 37.83 37.37 1hpk s LYS 15 CO 0.00 0.01 1.15 0.99 -0.92 0.00 0.00 175.35 176.58 1hpk s THR 16 N -0.29 2.01 0.00 2.17 2.01 0.28 -2.95 115.64 118.87 1hpk s THR 16 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1hpk s THR 16 Cb -0.02 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1hpk s THR 16 CO -0.00 -0.00 0.02 1.17 -0.69 0.00 0.00 174.62 175.11 1hpk n LYS 17 N -3.61 -0.00 -0.09 4.92 4.81 1.10 0.18 118.16 125.47 1hpk n LYS 17 Ca 0.07 0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.38 1hpk n LYS 17 Cb 0.60 -0.02 -0.08 0.00 0.02 0.00 0.00 35.03 35.54 1hpk n LYS 17 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1hpk h ASN 18 N 0.00 0.00 0.00 3.14 -0.00 -1.85 -3.14 115.58 113.72 1hpk h ASN 18 Ca 0.01 -0.36 0.00 0.00 -0.00 0.00 0.00 56.30 55.95 1hpk h ASN 18 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1hpk h ASN 18 CO -0.01 1.19 0.00 0.61 -0.00 0.00 0.00 177.43 179.22 1hpk n GLY 19 N 1.52 0.00 3.62 1.57 0.00 0.47 -4.67 105.19 107.69 1hpk n GLY 19 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1hpk n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hpk s ILE 20 N 0.00 4.38 -0.69 -0.61 1.01 -1.16 -4.45 121.20 119.69 1hpk s ILE 20 Ca 0.00 1.42 -0.33 0.00 0.00 0.00 0.00 60.65 61.74 1hpk s ILE 20 Cb 0.00 -4.49 -0.18 0.00 0.01 0.00 0.00 42.46 37.79 1hpk s ILE 20 CO 0.00 -0.74 2.16 0.41 0.00 0.00 0.00 174.94 176.78 1hpk n THR 21 N 6.34 0.00 0.00 2.92 -1.04 -1.26 0.10 114.28 121.34 1hpk n THR 21 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1hpk n THR 21 Cb 0.48 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1hpk n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hpk n GLN 23 N 0.00 1.90 -0.06 0.00 10.64 -1.01 -3.58 117.38 125.27 1hpk n GLN 23 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1hpk n GLN 23 Cb 0.00 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.44 1hpk n GLN 23 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1hpk n LYS 24 N -0.25 2.86 -3.20 2.61 2.85 -1.25 -3.78 118.16 117.99 1hpk n LYS 24 Ca 0.00 -1.75 -0.15 0.00 -1.05 0.00 0.00 58.31 55.35 1hpk n LYS 24 Cb 0.00 -1.13 0.05 0.00 -0.65 0.00 0.00 35.03 33.31 1hpk n LYS 24 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1hpk n TRP 25 N -0.28 -1.88 0.00 5.58 5.03 -0.94 -4.45 117.44 120.49 1hpk n TRP 25 Ca 0.05 0.68 0.00 0.00 3.03 0.00 0.00 57.50 61.25 1hpk n TRP 25 Cb 0.34 -3.75 0.00 0.00 -1.03 0.00 0.00 31.31 26.86 1hpk n TRP 25 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1hpk n SER 26 N -1.64 0.00 0.00 -0.99 2.88 -1.26 -5.00 113.62 107.61 1hpk n SER 26 Ca -0.02 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1hpk n SER 26 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1hpk n SER 26 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1hpk n SER 27 N -0.41 0.00 0.04 -3.46 7.64 -1.25 -4.95 113.62 111.22 1hpk n SER 27 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1hpk n SER 27 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 1hpk n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1hpk n THR 28 N -0.39 1.37 0.35 0.44 -1.04 0.77 -0.04 114.28 115.74 1hpk n THR 28 Ca 0.00 0.40 -0.15 0.00 -2.04 0.00 0.00 64.05 62.26 1hpk n THR 28 Cb 0.00 -1.30 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 1hpk n THR 28 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1hpk h SER 29 N 0.00 -0.77 0.00 8.00 4.64 -1.94 -3.24 113.55 120.23 1hpk h SER 29 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hpk h SER 29 Cb 0.14 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1hpk h SER 29 CO 0.00 -0.40 0.00 -0.81 -0.87 0.00 0.00 176.83 174.75 1hpk n PRO 30 N -5.39 0.00 0.00 4.77 -0.04 -1.19 -4.97 135.00 128.18 1hpk n PRO 30 Ca -0.12 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1hpk n PRO 30 Cb 0.37 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1hpk n PRO 30 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hpk n HIS 31 N -1.93 0.00 0.00 0.54 -0.00 0.95 -4.93 115.22 109.85 1hpk n HIS 31 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1hpk n HIS 31 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1hpk n HIS 31 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1hpk n ARG 32 N 0.00 0.00 0.00 1.57 1.74 0.24 -4.38 116.66 115.83 1hpk n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1hpk n ARG 32 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1hpk n ARG 32 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hpk n PRO 33 N -0.16 0.22 -2.47 5.56 -0.04 -1.26 0.27 135.00 137.12 1hpk n PRO 33 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1hpk n PRO 33 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1hpk n PRO 33 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1hpk n ARG 34 N -0.52 3.24 -2.63 0.54 0.00 -1.26 -4.30 116.66 111.72 1hpk n ARG 34 Ca 0.00 -4.38 -0.40 0.00 -0.00 0.00 0.00 57.85 53.08 1hpk n ARG 34 Cb 0.00 -2.16 -0.05 0.00 -0.00 0.00 0.00 32.46 30.24 1hpk n ARG 34 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1hpk s PHE 35 N -3.51 3.77 0.00 2.89 2.19 -1.26 -4.73 117.98 117.33 1hpk s PHE 35 Ca 0.46 1.81 0.00 0.00 0.33 0.00 0.00 56.93 59.53 1hpk s PHE 35 Cb 0.41 -3.10 0.00 0.00 -1.31 0.00 0.00 43.02 39.01 1hpk s PHE 35 CO -0.15 -0.01 0.00 0.43 1.83 0.00 0.00 175.22 177.32 1hpk n SER 36 N 1.23 0.00 -4.68 6.13 7.64 -1.26 -5.09 113.62 117.59 1hpk n SER 36 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 1hpk n SER 36 Cb 0.46 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.78 1hpk n SER 36 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1hpk n PRO 37 N 0.00 0.34 0.00 1.43 -0.02 -1.26 -4.93 135.00 130.56 1hpk n PRO 37 Ca 0.00 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1hpk n PRO 37 Cb 0.00 -2.40 0.31 0.00 -0.02 0.00 0.00 33.50 31.39 1hpk n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hpk n ALA 38 N -3.01 3.28 0.94 3.55 0.00 -1.26 -4.03 120.51 119.98 1hpk n ALA 38 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1hpk n ALA 38 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1hpk n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1hpk n THR 39 N -0.87 0.26 -4.05 0.00 5.66 -1.26 -4.79 114.28 109.24 1hpk n THR 39 Ca 0.10 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.82 1hpk n THR 39 Cb 0.35 -0.61 -0.06 0.00 -1.55 0.00 0.00 70.33 68.47 1hpk n THR 39 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1hpk s HIS 40 N -0.70 3.21 0.26 1.09 4.02 -1.26 -5.00 115.29 116.92 1hpk s HIS 40 Ca 0.00 0.05 -0.07 0.00 1.02 0.00 0.00 55.06 56.05 1hpk s HIS 40 Cb 0.00 -1.58 0.46 0.00 -1.02 0.00 0.00 32.58 30.44 1hpk s HIS 40 CO 0.00 0.52 1.59 -1.35 1.02 0.00 0.00 174.74 176.53 1hpk h PRO 41 N 2.77 0.02 0.00 8.40 0.11 -1.86 -3.44 132.00 138.00 1hpk h PRO 41 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1hpk h PRO 41 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1hpk h PRO 41 CO 0.65 0.01 0.00 0.45 -0.21 0.00 0.00 178.00 178.91 1hpk n SER 42 N -5.50 0.03 -2.61 -2.05 2.88 -1.26 -5.06 113.62 100.04 1hpk n SER 42 Ca 0.15 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.66 1hpk n SER 42 Cb 0.51 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1hpk n SER 42 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1hpk n GLU 43 N 0.00 0.18 0.00 -1.46 0.00 -1.26 -4.73 120.64 113.36 1hpk n GLU 43 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 57.16 56.49 1hpk n GLU 43 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1hpk n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hpk n GLY 44 N -0.50 1.47 2.63 -1.84 0.00 -1.26 -4.50 105.19 101.18 1hpk n GLY 44 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1hpk n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hpk n LEU 45 N 0.34 6.55 -4.62 0.99 4.77 -1.26 -4.65 117.00 119.11 1hpk n LEU 45 Ca 0.00 -3.69 -0.43 0.00 -0.03 0.00 0.00 56.01 51.86 1hpk n LEU 45 Cb 0.32 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 1hpk n LEU 45 CO 0.00 1.06 0.99 -0.70 -1.33 0.00 0.00 177.39 177.41 1hpk s GLU 46 N 3.22 3.93 0.00 3.23 2.12 -1.26 -4.73 118.70 125.21 1hpk s GLU 46 Ca 0.54 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1hpk s GLU 46 Cb 0.14 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.73 1hpk s GLU 46 CO -0.03 -1.09 0.00 0.39 -0.54 0.00 0.00 175.26 173.99 1hpk n GLU 47 N 7.25 0.00 -3.59 4.30 -0.58 -1.26 -2.93 120.64 123.83 1hpk n GLU 47 Ca 0.12 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.58 1hpk n GLU 47 Cb 0.48 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.23 1hpk n GLU 47 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1hpk s ASN 48 N -2.13 2.90 0.34 1.62 2.20 -1.25 -2.21 114.94 116.41 1hpk s ASN 48 Ca 0.00 -3.06 0.02 0.00 -0.94 0.00 0.00 52.86 48.88 1hpk s ASN 48 Cb 0.00 -0.85 -0.01 0.00 -2.00 0.00 0.00 41.25 38.39 1hpk s ASN 48 CO 0.00 -0.19 0.07 -1.22 -2.94 0.00 0.00 177.10 172.82 1hpk n TYR 49 N 2.93 0.40 -3.59 1.54 4.02 -1.15 -4.01 117.16 117.29 1hpk n TYR 49 Ca 0.21 -1.97 -0.22 0.00 -0.01 0.00 0.00 57.90 55.91 1hpk n TYR 49 Cb 0.41 -0.10 -0.16 0.00 -0.02 0.00 0.00 39.34 39.47 1hpk n TYR 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hpk n ARG 51 N 5.30 0.00 -2.77 0.00 5.12 -1.06 -4.80 116.66 118.45 1hpk n ARG 51 Ca -0.06 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.83 1hpk n ARG 51 Cb 0.49 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.84 1hpk n ARG 51 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1hpk n ASN 52 N 0.00 1.67 0.00 0.55 4.05 -1.26 -1.50 115.26 118.76 1hpk n ASN 52 Ca 0.00 -2.25 0.10 0.00 0.45 0.00 0.00 54.58 52.88 1hpk n ASN 52 Cb 0.00 -0.49 0.57 0.00 1.23 0.00 0.00 39.78 41.09 1hpk n ASN 52 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1hpk n PRO 53 N -0.48 0.64 0.00 1.20 -0.05 -1.26 -4.23 135.00 130.82 1hpk n PRO 53 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.54 1hpk n PRO 53 Cb 0.81 -1.47 0.00 0.00 -0.05 0.00 0.00 33.50 32.79 1hpk n PRO 53 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1hpk n ASP 54 N -0.97 0.00 -2.66 3.54 2.03 -1.26 -4.00 116.55 113.23 1hpk n ASP 54 Ca 0.14 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.41 1hpk n ASP 54 Cb 0.07 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.53 1hpk n ASP 54 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1hpk n ASN 55 N -0.35 -1.29 -3.06 1.67 5.15 -1.26 -4.90 115.26 111.22 1hpk n ASN 55 Ca 0.00 -1.44 -0.19 0.00 -0.60 0.00 0.00 54.58 52.35 1hpk n ASN 55 Cb 0.00 0.68 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 1hpk n ASN 55 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1hpk n ASP 56 N 1.87 -0.71 0.24 1.20 9.92 -1.26 -4.95 116.55 122.87 1hpk n ASP 56 Ca 0.05 -2.87 0.07 0.00 -0.53 0.00 0.00 54.79 51.50 1hpk n ASP 56 Cb 0.69 0.07 0.58 0.00 -0.64 0.00 0.00 41.12 41.82 1hpk n ASP 56 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1hpk h PRO 57 N 3.99 0.00 -0.85 -0.24 0.11 -1.97 -1.85 132.00 131.19 1hpk h PRO 57 Ca 0.01 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.32 1hpk h PRO 57 Cb 0.92 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.98 1hpk h PRO 57 CO 0.42 0.09 0.57 -0.56 -0.21 0.00 0.00 178.00 178.32 1hpk h GLN 58 N 0.00 0.32 -1.02 1.05 -0.00 -2.03 -3.44 115.11 109.99 1hpk h GLN 58 Ca -0.00 -0.02 0.25 0.00 -0.00 0.00 0.00 58.65 58.88 1hpk h GLN 58 Cb 0.17 -0.07 -0.28 0.00 -0.00 0.00 0.00 27.48 27.30 1hpk h GLN 58 CO 0.01 0.21 0.98 0.20 -0.00 0.00 0.00 178.83 180.24 1hpk s GLY 59 N -3.86 0.13 -0.16 0.06 0.00 -0.69 -4.88 107.32 97.91 1hpk s GLY 59 Ca -0.07 2.92 -0.29 0.00 0.00 0.00 0.00 44.72 47.28 1hpk s GLY 59 CO 0.78 1.14 1.99 2.56 0.00 0.00 0.00 173.10 179.57 1hpk s PRO 60 N -0.97 3.55 0.79 2.90 0.04 -1.26 -4.73 135.00 135.33 1hpk s PRO 60 Ca 0.10 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1hpk s PRO 60 Cb -0.01 -4.23 0.07 0.00 0.04 0.00 0.00 34.50 30.36 1hpk s PRO 60 CO -0.09 -1.61 1.13 1.67 0.04 0.00 0.00 177.00 178.14 1hpk s TRP 61 N 6.51 2.96 -0.30 0.56 1.48 -0.56 -1.36 118.94 128.23 1hpk s TRP 61 Ca 0.89 0.96 -0.21 0.00 -1.06 0.00 0.00 56.10 56.68 1hpk s TRP 61 Cb -0.33 -3.25 0.19 0.00 -1.16 0.00 0.00 33.47 28.92 1hpk s TRP 61 CO 0.35 -1.69 1.32 0.00 -4.06 0.00 0.00 176.95 172.87 1hpk n TYR 63 N 2.29 -3.14 -3.94 0.00 4.02 -1.25 -2.19 117.16 112.94 1hpk n TYR 63 Ca -0.13 -0.40 -0.09 0.00 -0.01 0.00 0.00 57.90 57.27 1hpk n TYR 63 Cb 0.57 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 1hpk n TYR 63 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1hpk s THR 64 N -0.24 0.14 -1.06 -0.72 -4.23 0.16 -2.39 115.64 107.30 1hpk s THR 64 Ca 0.14 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1hpk s THR 64 Cb -0.01 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1hpk s THR 64 CO 0.09 -0.63 0.00 0.35 -0.54 0.00 0.00 174.62 173.89 1hpk n THR 65 N -0.06 0.00 -3.48 3.99 -2.24 -1.23 -4.61 114.28 106.64 1hpk n THR 65 Ca -0.13 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 1hpk n THR 65 Cb 0.62 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1hpk n THR 65 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1hpk s ASP 66 N -1.06 -0.60 0.00 3.42 1.11 -1.26 -4.55 116.67 113.73 1hpk s ASP 66 Ca 0.00 0.39 0.00 0.00 0.18 0.00 0.00 52.55 53.12 1hpk s ASP 66 Cb 0.00 0.55 0.00 0.00 1.07 0.00 0.00 42.92 44.54 1hpk s ASP 66 CO 0.00 -0.74 0.66 -0.81 1.18 0.00 0.00 175.17 175.45 1hpk n PRO 67 N 0.33 0.00 -0.47 8.23 -0.04 -1.26 -0.26 135.00 141.53 1hpk n PRO 67 Ca -0.17 0.22 0.36 0.00 -0.04 0.00 0.00 63.50 63.87 1hpk n PRO 67 Cb 0.60 -1.16 0.56 0.00 -0.04 0.00 0.00 33.50 33.47 1hpk n PRO 67 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1hpk n GLU 68 N -1.06 -0.00 -2.78 0.54 1.02 -1.26 0.26 120.64 117.36 1hpk n GLU 68 Ca 0.00 0.78 -0.22 0.00 -0.02 0.00 0.00 57.16 57.70 1hpk n GLU 68 Cb 0.00 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 1hpk n GLU 68 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1hpk n LYS 69 N -3.47 2.50 0.11 3.49 2.85 -1.14 -4.87 118.16 117.64 1hpk n LYS 69 Ca 0.31 -4.18 -0.02 0.00 -1.05 0.00 0.00 58.31 53.37 1hpk n LYS 69 Cb 1.37 -1.96 0.06 0.00 -0.65 0.00 0.00 35.03 33.85 1hpk n LYS 69 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 177.40 177.42 1hpk h ARG 70 N 2.86 0.00 -2.46 -1.58 0.11 0.67 -3.33 114.38 110.64 1hpk h ARG 70 Ca 0.14 0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.43 1hpk h ARG 70 Cb 0.85 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.89 1hpk h ARG 70 CO 0.71 0.71 0.68 1.52 0.10 0.00 0.00 179.97 183.70 1hpk s TYR 71 N -3.15 0.07 -5.00 4.08 1.13 -1.26 0.40 117.35 113.62 1hpk s TYR 71 Ca 0.01 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 1hpk s TYR 71 Cb 0.11 0.67 0.00 0.00 -1.10 0.00 0.00 41.96 41.63 1hpk s TYR 71 CO 0.77 -0.75 0.00 -3.47 -2.51 0.00 0.00 175.55 169.59 1hpk n ASP 72 N -1.25 0.00 -3.23 -0.18 -0.08 -0.93 -5.00 116.55 105.89 1hpk n ASP 72 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hpk n ASP 72 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1hpk n ASP 72 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1hpk n TYR 73 N 1.18 -0.38 -4.33 -0.67 4.01 -1.26 -1.35 117.16 114.36 1hpk n TYR 73 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1hpk n TYR 73 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 1hpk n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hpk n ASP 75 N 0.43 5.50 -4.74 0.00 2.03 -1.06 -3.01 116.55 115.70 1hpk n ASP 75 Ca -0.13 -2.45 -0.41 0.00 0.52 0.00 0.00 54.79 52.32 1hpk n ASP 75 Cb 0.54 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 1hpk n ASP 75 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1hpk s ILE 76 N 1.26 4.30 0.51 5.18 1.01 -1.26 -3.70 121.20 128.50 1hpk s ILE 76 Ca 0.65 2.07 -0.18 0.00 0.00 0.00 0.00 60.65 63.18 1hpk s ILE 76 Cb 0.29 -4.32 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 1hpk s ILE 76 CO -0.01 0.41 0.10 0.18 0.00 0.00 0.00 174.94 175.61 1hpk n LEU 77 N 2.16 -2.26 0.00 2.97 7.99 -1.26 -1.96 117.00 124.65 1hpk n LEU 77 Ca 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 56.01 56.70 1hpk n LEU 77 Cb 0.48 -0.95 0.00 0.00 -0.11 0.00 0.00 43.42 42.84 1hpk n LEU 77 CO 0.50 -4.20 0.00 1.21 -1.51 0.00 0.00 177.39 173.40 1hpk n GLU 78 N 1.03 -0.18 0.00 3.23 4.07 -1.26 -4.17 120.64 123.36 1hpk n GLU 78 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1hpk n GLU 78 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1hpk n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07