#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpj s ALA 13 N 0.00 2.54 -0.25 -0.43 0.00 -1.26 -5.11 121.76 117.25 2hpj s ALA 13 Ca 0.00 -2.84 -0.23 0.00 0.00 0.00 0.00 51.96 48.89 2hpj s ALA 13 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 2hpj s ALA 13 CO 0.00 -2.05 0.78 0.45 0.00 0.00 0.00 175.76 174.94 2hpj s SER 14 N 0.09 6.76 0.31 0.00 0.15 -1.26 -4.96 113.70 114.79 2hpj s SER 14 Ca 0.18 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2hpj s SER 14 Cb -0.24 -2.41 0.49 0.00 -1.71 0.00 0.00 66.02 62.15 2hpj s SER 14 CO -0.01 -0.49 1.88 -0.65 1.20 0.00 0.00 173.24 175.18 2hpj h PRO 15 N 7.77 0.79 -0.27 5.44 0.11 -1.99 -2.01 132.00 141.85 2hpj h PRO 15 Ca -0.24 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2hpj h PRO 15 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2hpj h PRO 15 CO 0.85 0.67 -0.03 0.00 -0.21 0.00 0.00 178.00 179.28 2hpj h ALA 16 N 1.44 0.36 -0.77 -0.75 0.00 -1.89 -0.81 119.26 116.84 2hpj h ALA 16 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2hpj h ALA 16 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2hpj h ALA 16 CO -0.01 0.13 0.27 0.28 0.00 0.00 0.00 179.25 179.92 2hpj h VAL 17 N 0.26 1.26 -0.67 0.00 2.07 -1.83 0.70 116.25 118.03 2hpj h VAL 17 Ca 0.07 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2hpj h VAL 17 Cb 0.48 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2hpj h VAL 17 CO 0.02 0.35 0.43 0.00 0.02 0.00 0.00 177.57 178.39 2hpj h ALA 18 N 1.14 0.85 -0.35 1.67 0.00 -1.16 -1.44 119.26 119.96 2hpj h ALA 18 Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2hpj h ALA 18 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hpj h ALA 18 CO -0.01 0.30 -0.15 1.49 0.00 0.00 0.00 179.25 180.88 2hpj h GLU 19 N 0.91 0.73 -0.96 0.00 4.57 -0.75 -2.74 114.58 116.33 2hpj h GLU 19 Ca 0.24 -0.31 0.15 0.00 -1.18 0.00 0.00 59.36 58.26 2hpj h GLU 19 Cb -0.07 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.41 2hpj h GLU 19 CO -0.05 0.91 0.61 1.25 -1.18 0.00 0.00 179.01 180.55 2hpj h LEU 20 N 0.51 0.78 0.00 1.64 5.85 -0.47 -1.45 115.31 122.16 2hpj h LEU 20 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2hpj h LEU 20 Cb 0.68 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2hpj h LEU 20 CO 0.05 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.52 2hpj n GLN 22 N -1.40 0.06 -1.27 0.00 1.13 -0.55 -4.88 117.38 110.47 2hpj n GLN 22 Ca 0.06 -0.02 -0.30 0.00 -1.94 0.00 0.00 57.00 54.80 2hpj n GLN 22 Cb 0.18 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.15 2hpj n GLN 22 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2hpj s ASN 23 N -2.95 3.97 0.68 1.08 0.01 -1.03 -5.00 114.94 111.70 2hpj s ASN 23 Ca 0.14 1.57 -0.17 0.00 -0.71 0.00 0.00 52.86 53.70 2hpj s ASN 23 Cb 0.19 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.59 2hpj s ASN 23 CO 0.58 -2.34 1.25 0.42 -1.51 0.00 0.00 177.10 175.51 2hpj s THR 24 N -2.95 2.20 0.25 1.60 -4.23 -1.26 -4.66 115.64 106.59 2hpj s THR 24 Ca 0.62 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 2hpj s THR 24 Cb -0.17 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.04 2hpj s THR 24 CO 0.56 -0.04 1.68 -0.65 -0.54 0.00 0.00 174.62 175.64 2hpj h PRO 25 N 0.19 0.27 -0.40 3.99 0.11 -1.94 0.21 132.00 134.42 2hpj h PRO 25 Ca -0.49 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 2hpj h PRO 25 Cb 1.32 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2hpj h PRO 25 CO 0.52 0.18 0.00 0.93 -0.21 0.00 0.00 178.00 179.42 2hpj h GLU 26 N 0.27 0.71 -0.47 1.05 5.08 -2.00 -0.90 114.58 118.32 2hpj h GLU 26 Ca 0.44 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2hpj h GLU 26 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2hpj h GLU 26 CO -0.53 0.79 -0.17 1.15 -1.00 0.00 0.00 179.01 179.25 2hpj h THR 27 N 0.54 1.27 -0.50 1.13 2.02 -1.79 -1.85 112.91 113.73 2hpj h THR 27 Ca 0.11 -1.32 0.06 0.00 0.77 0.00 0.00 66.41 66.03 2hpj h THR 27 Cb 0.47 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2hpj h THR 27 CO 0.02 0.46 0.19 0.15 0.37 0.00 0.00 175.52 176.71 2hpj h PHE 28 N 0.79 0.34 -0.58 3.16 3.57 -0.45 -1.50 116.94 122.27 2hpj h PHE 28 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2hpj h PHE 28 Cb 0.74 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2hpj h PHE 28 CO 0.05 0.12 0.19 -0.07 -2.23 0.00 0.00 178.31 176.37 2hpj h LEU 29 N 0.38 0.85 0.12 0.59 3.38 -0.84 -0.08 115.31 119.70 2hpj h LEU 29 Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2hpj h LEU 29 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2hpj h LEU 29 CO -0.23 0.83 -0.06 -0.08 0.09 0.00 0.00 178.44 178.99 2hpj h GLU 30 N 0.82 -0.16 -0.33 1.13 4.81 -0.99 -1.42 114.58 118.45 2hpj h GLU 30 Ca 0.19 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2hpj h GLU 30 Cb 0.28 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2hpj h GLU 30 CO -0.01 0.00 -0.13 0.00 -0.73 0.00 0.00 179.01 178.15 2hpj h ALA 31 N 0.58 0.46 -0.26 2.92 0.00 -1.24 -3.01 119.26 118.71 2hpj h ALA 31 Ca -0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2hpj h ALA 31 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2hpj h ALA 31 CO 0.03 0.34 -0.13 0.66 0.00 0.00 0.00 179.25 180.15 2hpj h SER 32 N 0.44 0.41 -0.31 0.00 4.64 -1.01 -0.92 113.55 116.81 2hpj h SER 32 Ca 0.08 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2hpj h SER 32 Cb 0.65 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2hpj h SER 32 CO 0.04 0.57 0.18 0.50 -0.87 0.00 0.00 176.83 177.26 2hpj h LYS 33 N 0.40 0.42 -0.51 4.77 1.63 -1.17 -0.80 116.57 121.29 2hpj h LYS 33 Ca 0.08 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2hpj h LYS 33 Cb 0.47 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2hpj h LYS 33 CO 0.03 0.33 0.22 -0.07 -3.45 0.00 0.00 179.45 176.51 2hpj h LEU 34 N 0.39 0.69 -0.55 5.20 3.38 -1.32 -1.68 115.31 121.42 2hpj h LEU 34 Ca 0.11 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2hpj h LEU 34 Cb 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2hpj h LEU 34 CO -0.02 0.65 0.30 -0.07 0.09 0.00 0.00 178.44 179.40 2hpj h LEU 35 N 0.69 0.47 -0.74 1.67 3.38 -0.89 0.49 115.31 120.38 2hpj h LEU 35 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2hpj h LEU 35 Cb 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2hpj h LEU 35 CO -0.02 0.32 0.46 -0.07 0.09 0.00 0.00 178.44 179.22 2hpj h LEU 36 N 0.59 0.87 -0.03 1.67 3.38 -0.98 -1.92 115.31 118.89 2hpj h LEU 36 Ca 0.23 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2hpj h LEU 36 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2hpj h LEU 36 CO -0.13 0.66 -0.02 0.74 0.09 0.00 0.00 178.44 179.78 2hpj h THR 37 N 1.01 0.94 -0.75 0.22 2.02 -0.59 0.11 112.91 115.87 2hpj h THR 37 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 2hpj h THR 37 Cb -0.07 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2hpj h THR 37 CO -0.05 0.00 0.46 1.88 0.37 0.00 0.00 175.52 178.17 2hpj h TYR 38 N -0.02 0.98 0.04 3.16 0.05 -0.79 -0.85 116.97 119.53 2hpj h TYR 38 Ca 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2hpj h TYR 38 Cb 0.05 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 37.47 2hpj h TYR 38 CO -0.11 0.65 -0.02 0.00 -1.05 0.00 0.00 178.16 177.63 2hpj h ALA 39 N 1.24 -0.05 -0.54 3.88 0.00 -1.12 -3.14 119.26 119.52 2hpj h ALA 39 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2hpj h ALA 39 Cb -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2hpj h ALA 39 CO -0.05 -0.39 0.22 -0.44 0.00 0.00 0.00 179.25 178.59 2hpj h ASP 40 N -0.33 0.71 -1.00 0.00 3.32 -0.65 -0.32 116.42 118.15 2hpj h ASP 40 Ca -0.01 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.01 2hpj h ASP 40 Cb 0.30 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 2hpj h ASP 40 CO 0.01 0.64 0.65 0.78 -1.72 0.00 0.00 179.24 179.60 2hpj h ASN 41 N 0.77 1.06 0.03 6.45 2.35 -1.13 0.54 115.58 125.66 2hpj h ASN 41 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2hpj h ASN 41 Cb 0.15 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2hpj h ASN 41 CO -0.02 0.70 -0.02 0.40 -1.65 0.00 0.00 177.43 176.85 2hpj h ILE 42 N 1.21 1.40 -0.85 2.81 2.04 -1.39 -2.77 117.51 119.97 2hpj h ILE 42 Ca 0.41 -1.61 0.10 0.00 1.00 0.00 0.00 64.86 64.77 2hpj h ILE 42 Cb 0.09 2.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 2hpj h ILE 42 CO -0.15 0.39 0.55 -0.07 0.00 0.00 0.00 178.15 178.88 2hpj h LEU 43 N -0.78 0.73 -0.88 1.44 3.38 -0.77 -2.44 115.31 115.99 2hpj h LEU 43 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hpj h LEU 43 Cb 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2hpj h LEU 43 CO 0.01 0.43 -0.45 0.54 0.09 0.00 0.00 178.44 179.06 2hpj n ARG 44 N -4.52 1.11 -3.18 1.13 1.74 0.16 -4.43 116.66 108.66 2hpj n ARG 44 Ca 0.14 -0.88 -0.20 0.00 -0.77 0.00 0.00 57.85 56.15 2hpj n ARG 44 Cb 0.32 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 2hpj n ARG 44 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hpj n ASN 45 N -0.18 0.91 0.18 0.55 3.02 -0.94 -4.97 115.26 113.84 2hpj n ASN 45 Ca 0.10 -2.99 0.16 0.00 -0.03 0.00 0.00 54.58 51.83 2hpj n ASN 45 Cb 0.44 -0.62 0.78 0.00 -0.61 0.00 0.00 39.78 39.77 2hpj n ASN 45 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2hpj h PRO 46 N 3.21 0.00 -0.01 3.52 0.13 -1.72 -1.80 132.00 135.33 2hpj h PRO 46 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2hpj h PRO 46 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2hpj h PRO 46 CO 0.51 0.00 -0.17 0.43 -0.23 0.00 0.00 178.00 178.54 2hpj n SER 47 N -4.00 0.79 -4.23 1.44 7.64 -1.26 -4.75 113.62 109.25 2hpj n SER 47 Ca 0.02 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.71 2hpj n SER 47 Cb 0.34 0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.49 2hpj n SER 47 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hpj s ASP 48 N -2.46 5.80 0.62 6.43 -1.08 -0.68 -4.92 116.67 120.40 2hpj s ASP 48 Ca 0.27 -1.93 0.38 0.00 -0.52 0.00 0.00 52.55 50.75 2hpj s ASP 48 Cb 0.20 -2.05 2.10 0.00 -1.46 0.00 0.00 42.92 41.71 2hpj s ASP 48 CO 0.49 -0.72 2.29 1.05 0.52 0.00 0.00 175.17 178.80 2hpj h GLU 49 N 8.49 0.00 -0.19 4.34 9.09 -1.85 -2.82 114.58 131.63 2hpj h GLU 49 Ca -0.22 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.16 2hpj h GLU 49 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 2hpj h GLU 49 CO 0.89 0.01 -0.04 1.57 0.05 0.00 0.00 179.01 181.49 2hpj h LYS 50 N 0.00 0.29 0.00 1.06 2.10 -1.95 -2.03 116.57 116.04 2hpj h LYS 50 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2hpj h LYS 50 Cb 0.05 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2hpj h LYS 50 CO 0.00 0.35 0.00 0.66 -2.00 0.00 0.00 179.45 178.46 2hpj n TYR 51 N -4.34 0.00 1.37 0.07 4.01 -1.06 -2.81 117.16 114.40 2hpj n TYR 51 Ca -0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2hpj n TYR 51 Cb 0.21 -0.49 0.33 0.00 -0.31 0.00 0.00 39.34 39.08 2hpj n TYR 51 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hpj n ARG 52 N -1.49 1.54 -4.26 -0.72 1.74 -0.76 -4.71 116.66 107.99 2hpj n ARG 52 Ca 0.04 -0.82 -0.17 0.00 -0.77 0.00 0.00 57.85 56.12 2hpj n ARG 52 Cb 0.17 -1.31 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 2hpj n ARG 52 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hpj s SER 53 N -1.40 0.87 -0.09 0.55 1.04 -1.12 -0.48 113.70 113.07 2hpj s SER 53 Ca 0.27 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.55 2hpj s SER 53 Cb 0.14 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.19 2hpj s SER 53 CO 0.21 0.07 -0.12 -0.63 0.98 0.00 0.00 173.24 173.75 2hpj s ILE 54 N -0.24 1.22 -0.03 -1.02 1.01 0.28 -4.97 121.20 117.44 2hpj s ILE 54 Ca 0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 2hpj s ILE 54 Cb -0.03 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2hpj s ILE 54 CO -0.00 0.38 1.04 -0.60 0.00 0.00 0.00 174.94 175.76 2hpj s ARG 55 N 1.01 4.48 0.38 2.79 3.52 -1.26 -0.29 118.95 129.58 2hpj s ARG 55 Ca -0.07 1.48 0.06 0.00 -0.13 0.00 0.00 55.73 57.06 2hpj s ARG 55 Cb -0.15 -3.48 0.76 0.00 -1.56 0.00 0.00 34.95 30.52 2hpj s ARG 55 CO -0.01 -0.20 2.00 0.82 -0.81 0.00 0.00 175.30 177.10 2hpj h ILE 56 N 4.88 1.14 -0.01 4.11 2.04 -1.19 -1.21 117.51 127.27 2hpj h ILE 56 Ca -0.37 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2hpj h ILE 56 Cb 1.19 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2hpj h ILE 56 CO 0.81 0.15 -0.01 0.61 0.00 0.00 0.00 178.15 179.71 2hpj n GLY 57 N -1.31 -0.16 3.65 5.37 0.00 -1.26 -4.14 105.19 107.34 2hpj n GLY 57 Ca 0.03 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 2hpj n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hpj n ASN 58 N -0.01 2.35 0.05 1.61 2.85 -0.46 -4.82 115.26 116.84 2hpj n ASN 58 Ca 0.19 1.15 -0.13 0.00 -0.11 0.00 0.00 54.58 55.69 2hpj n ASN 58 Cb 0.32 -1.38 -0.08 0.00 1.24 0.00 0.00 39.78 39.89 2hpj n ASN 58 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2hpj h THR 59 N 2.87 1.02 -0.50 -0.44 2.02 -1.91 0.26 112.91 116.24 2hpj h THR 59 Ca -0.44 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.55 2hpj h THR 59 Cb 1.29 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 2hpj h THR 59 CO 0.73 0.06 0.27 0.00 0.37 0.00 0.00 175.52 176.94 2hpj h ALA 60 N 0.79 0.63 -0.10 6.16 0.00 -1.97 -1.58 119.26 123.18 2hpj h ALA 60 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2hpj h ALA 60 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hpj h ALA 60 CO 0.01 -0.06 0.01 0.35 0.00 0.00 0.00 179.25 179.56 2hpj h PHE 61 N 0.54 0.19 0.00 0.00 3.57 -1.83 0.59 116.94 120.00 2hpj h PHE 61 Ca 0.21 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 2hpj h PHE 61 Cb 0.08 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2hpj h PHE 61 CO -0.09 0.41 -0.45 0.66 -2.23 0.00 0.00 178.31 176.61 2hpj h SER 62 N -0.08 0.00 0.00 0.41 4.64 -0.86 -0.23 113.55 117.43 2hpj h SER 62 Ca 0.03 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.02 2hpj h SER 62 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 2hpj h SER 62 CO 0.00 0.45 -2.22 0.35 -0.87 0.00 0.00 176.83 174.54 2hpj n THR 63 N -3.74 1.23 0.28 2.95 -2.24 -0.60 -4.33 114.28 107.81 2hpj n THR 63 Ca -0.01 -0.70 0.07 0.00 -2.27 0.00 0.00 64.05 61.14 2hpj n THR 63 Cb 0.52 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 2hpj n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hpj n ARG 64 N -2.75 1.25 0.01 -0.78 1.74 0.19 -4.70 116.66 111.63 2hpj n ARG 64 Ca -0.31 -0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 56.68 2hpj n ARG 64 Cb 1.05 -1.27 -0.00 0.00 -1.02 0.00 0.00 32.46 31.22 2hpj n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2hpj n LEU 65 N -1.72 0.74 -0.23 0.55 0.00 -0.87 -4.11 117.00 111.37 2hpj n LEU 65 Ca -0.00 0.11 0.18 0.00 0.00 0.00 0.00 56.01 56.29 2hpj n LEU 65 Cb 0.31 -0.31 0.50 0.00 0.00 0.00 0.00 43.42 43.92 2hpj n LEU 65 CO 0.30 -0.57 1.22 -0.07 0.00 0.00 0.00 177.39 178.27 2hpj h LEU 66 N -0.15 0.42 0.00 -1.96 3.38 -1.28 -1.11 115.31 114.61 2hpj h LEU 66 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2hpj h LEU 66 Cb 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2hpj h LEU 66 CO 0.00 0.18 0.00 -2.65 0.09 0.00 0.00 178.44 176.06 2hpj n PRO 67 N -4.51 0.18 -3.35 1.13 -0.02 -1.26 -4.76 135.00 122.42 2hpj n PRO 67 Ca 0.18 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.39 2hpj n PRO 67 Cb 0.64 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 2hpj n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hpj s VAL 68 N -2.73 5.16 0.05 -1.45 1.01 -0.42 -5.01 120.40 117.01 2hpj s VAL 68 Ca 0.16 0.72 -0.35 0.00 0.00 0.00 0.00 61.98 62.51 2hpj s VAL 68 Cb 0.14 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 2hpj s VAL 68 CO 0.33 0.19 1.59 -2.11 0.00 0.00 0.00 175.10 175.11 2hpj n ARG 69 N 4.94 1.82 0.00 2.72 1.85 -1.26 -1.30 116.66 125.43 2hpj n ARG 69 Ca -0.07 0.66 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 2hpj n ARG 69 Cb 0.51 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.51 2hpj n ARG 69 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hpj n GLY 70 N 3.46 2.99 0.08 2.89 0.00 -1.26 -3.76 105.19 109.59 2hpj n GLY 70 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2hpj n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpj h ALA 71 N 0.00 0.05 -0.22 4.61 0.00 -1.47 -1.28 119.26 120.95 2hpj h ALA 71 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2hpj h ALA 71 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2hpj h ALA 71 CO 0.00 -0.10 -0.15 -0.24 0.00 0.00 0.00 179.25 178.76 2hpj h VAL 72 N -0.45 1.22 -0.14 0.00 3.04 -1.81 -1.73 116.25 116.39 2hpj h VAL 72 Ca -0.00 -0.98 -0.04 0.00 -1.01 0.00 0.00 66.70 64.66 2hpj h VAL 72 Cb 0.67 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2hpj h VAL 72 CO 0.02 0.31 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.45 2hpj h GLU 73 N 0.35 0.22 -0.73 4.17 3.07 -1.89 -0.46 114.58 119.30 2hpj h GLU 73 Ca 0.06 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 2hpj h GLU 73 Cb 0.48 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.32 2hpj h GLU 73 CO 0.03 0.34 0.47 0.00 -1.40 0.00 0.00 179.01 178.45 2hpj h LEU 75 N 0.93 0.77 -0.66 0.00 3.38 -0.92 -0.63 115.31 118.19 2hpj h LEU 75 Ca 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2hpj h LEU 75 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2hpj h LEU 75 CO -0.10 0.79 0.36 -0.26 0.09 0.00 0.00 178.44 179.32 2hpj h PHE 76 N 0.72 0.90 -0.16 1.13 0.04 -0.88 -1.32 116.94 117.36 2hpj h PHE 76 Ca 0.16 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.87 2hpj h PHE 76 Cb 0.31 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2hpj h PHE 76 CO 0.02 0.64 -0.10 0.93 -0.60 0.00 0.00 178.31 179.20 2hpj h GLU 77 N 0.89 0.25 0.00 1.51 5.08 -0.72 -1.92 114.58 119.67 2hpj h GLU 77 Ca 0.23 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2hpj h GLU 77 Cb 0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hpj h GLU 77 CO -0.04 0.36 -0.11 0.52 -1.00 0.00 0.00 179.01 178.75 2hpj h MET 78 N 0.24 0.00 0.00 2.33 2.86 -0.54 -3.45 114.93 116.37 2hpj h MET 78 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2hpj h MET 78 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2hpj h MET 78 CO 0.02 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.51 2hpj n GLY 79 N -1.18 0.63 3.75 8.32 0.00 -0.72 -3.15 105.19 112.83 2hpj n GLY 79 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2hpj n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpj s PHE 80 N -1.34 2.43 0.08 1.61 0.08 -0.55 -4.39 117.98 115.90 2hpj s PHE 80 Ca 0.00 1.50 0.09 0.00 0.12 0.00 0.00 56.93 58.64 2hpj s PHE 80 Cb 0.00 -3.51 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 2hpj s PHE 80 CO 0.00 -2.22 -0.24 -1.21 -0.10 0.00 0.00 175.22 171.44 2hpj s GLU 81 N -3.22 1.47 -0.24 0.44 2.02 0.64 -4.33 118.70 115.47 2hpj s GLU 81 Ca 0.75 -1.15 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 2hpj s GLU 81 Cb -0.31 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 2hpj s GLU 81 CO 0.35 0.43 0.63 -2.00 0.02 0.00 0.00 175.26 174.69 2hpj s GLU 82 N -1.59 4.13 0.24 1.61 2.12 -1.26 -0.86 118.70 123.10 2hpj s GLU 82 Ca 0.11 0.56 0.04 0.00 0.36 0.00 0.00 54.97 56.03 2hpj s GLU 82 Cb -0.10 -3.64 0.04 0.00 0.26 0.00 0.00 34.13 30.70 2hpj s GLU 82 CO 0.04 -0.38 0.32 0.41 -0.54 0.00 0.00 175.26 175.11 2hpj n GLY 83 N 4.10 2.01 0.21 -1.50 0.00 0.09 -5.00 105.19 105.10 2hpj n GLY 83 Ca -0.01 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2hpj n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hpj h GLU 84 N 0.00 0.66 0.00 1.61 4.39 -2.02 -3.36 114.58 115.86 2hpj h GLU 84 Ca -0.12 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2hpj h GLU 84 Cb 0.52 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2hpj h GLU 84 CO 0.17 0.72 -1.17 0.25 -1.16 0.00 0.00 179.01 177.81 2hpj n THR 85 N -4.52 0.00 -4.09 1.13 -2.24 -1.26 -4.98 114.28 98.32 2hpj n THR 85 Ca -0.01 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2hpj n THR 85 Cb 0.24 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.79 2hpj n THR 85 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2hpj s HIS 86 N -2.32 0.70 0.09 4.78 3.76 -1.26 -0.58 115.29 120.46 2hpj s HIS 86 Ca -0.02 -0.69 -0.22 0.00 -0.15 0.00 0.00 55.06 53.98 2hpj s HIS 86 Cb 0.04 -0.42 -0.07 0.00 1.11 0.00 0.00 32.58 33.24 2hpj s HIS 86 CO 0.23 -0.14 0.65 -0.51 -0.85 0.00 0.00 174.74 174.12 2hpj s LEU 87 N -2.18 4.53 -0.05 0.89 1.02 0.60 -0.73 118.68 122.76 2hpj s LEU 87 Ca -0.02 1.38 0.03 0.00 0.02 0.00 0.00 54.13 55.54 2hpj s LEU 87 Cb -0.03 -3.04 0.01 0.00 0.02 0.00 0.00 46.19 43.14 2hpj s LEU 87 CO -0.02 0.22 -0.14 -0.63 0.02 0.00 0.00 176.35 175.79 2hpj s ILE 88 N -0.93 1.21 -0.53 -0.59 -1.09 -0.04 -0.56 121.20 118.69 2hpj s ILE 88 Ca 0.32 -0.56 -0.19 0.00 -2.23 0.00 0.00 60.65 57.99 2hpj s ILE 88 Cb -0.20 -1.08 0.07 0.00 -1.58 0.00 0.00 42.46 39.66 2hpj s ILE 88 CO 0.21 0.37 0.65 0.12 -1.23 0.00 0.00 174.94 175.06 2hpj s PHE 89 N 0.39 3.03 0.78 3.97 5.36 0.36 -0.26 117.98 131.61 2hpj s PHE 89 Ca -0.10 -0.60 -0.12 0.00 -0.96 0.00 0.00 56.93 55.15 2hpj s PHE 89 Cb -0.13 -3.65 0.06 0.00 -0.34 0.00 0.00 43.02 38.95 2hpj s PHE 89 CO 0.03 -1.10 1.10 -1.25 -1.46 0.00 0.00 175.22 172.54 2hpj s PRO 90 N 2.69 2.22 0.39 10.12 0.04 -1.26 -4.87 135.00 144.33 2hpj s PRO 90 Ca 0.15 0.56 0.11 0.00 0.04 0.00 0.00 61.00 61.86 2hpj s PRO 90 Cb -0.20 -1.94 0.90 0.00 0.04 0.00 0.00 34.50 33.30 2hpj s PRO 90 CO 0.11 -1.51 1.93 0.87 0.04 0.00 0.00 177.00 178.44 2hpj h LYS 91 N -1.00 0.57 0.00 4.56 1.57 -1.98 -2.16 116.57 118.12 2hpj h LYS 91 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2hpj h LYS 91 Cb 1.27 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2hpj h LYS 91 CO 0.61 0.37 0.00 1.57 -0.57 0.00 0.00 179.45 181.43 2hpj h LYS 92 N 0.58 0.00 -6.71 3.15 2.10 -1.99 -3.46 116.57 110.24 2hpj h LYS 92 Ca 0.36 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.49 2hpj h LYS 92 Cb 0.59 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.95 2hpj h LYS 92 CO -0.13 0.00 0.59 0.00 -2.00 0.00 0.00 179.45 177.91 2hpj s ALA 93 N -3.30 3.47 0.04 0.07 0.00 -0.81 -4.98 121.76 116.24 2hpj s ALA 93 Ca 0.05 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 2hpj s ALA 93 Cb 0.10 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2hpj s ALA 93 CO 0.45 -0.43 1.28 0.45 0.00 0.00 0.00 175.76 177.51 2hpj s SER 94 N -0.00 6.98 0.39 0.00 0.15 -1.26 -4.93 113.70 115.02 2hpj s SER 94 Ca 0.53 2.06 0.10 0.00 0.70 0.00 0.00 55.95 59.34 2hpj s SER 94 Cb -0.35 -2.57 0.80 0.00 -1.71 0.00 0.00 66.02 62.19 2hpj s SER 94 CO 0.40 -0.58 1.92 0.58 1.20 0.00 0.00 173.24 176.76 2hpj h VAL 95 N 4.63 1.18 -0.62 4.45 2.07 -1.94 -2.65 116.25 123.38 2hpj h VAL 95 Ca -0.40 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2hpj h VAL 95 Cb 1.20 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2hpj h VAL 95 CO 0.85 0.24 0.37 -0.08 0.02 0.00 0.00 177.57 178.98 2hpj h GLU 96 N 0.20 0.71 -0.31 1.57 4.81 -1.96 0.81 114.58 120.41 2hpj h GLU 96 Ca 0.04 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2hpj h GLU 96 Cb 0.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2hpj h GLU 96 CO 0.02 0.47 -0.43 0.37 -0.73 0.00 0.00 179.01 178.71 2hpj h GLN 97 N 0.73 0.79 0.02 1.92 5.75 -1.83 0.43 115.11 122.91 2hpj h GLN 97 Ca 0.25 -0.43 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2hpj h GLN 97 Cb 0.05 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2hpj h GLN 97 CO -0.11 1.06 -0.08 1.25 -2.65 0.00 0.00 178.83 178.29 2hpj h LEU 98 N 0.64 -0.23 -0.64 -2.39 5.85 -1.08 -2.70 115.31 114.75 2hpj h LEU 98 Ca 0.04 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2hpj h LEU 98 Cb 0.99 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2hpj h LEU 98 CO 0.09 -0.12 0.38 -0.61 -0.34 0.00 0.00 178.44 177.85 2hpj h GLN 99 N -0.15 0.72 -0.38 1.25 5.75 -0.69 -1.96 115.11 119.65 2hpj h GLN 99 Ca 0.03 -0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 2hpj h GLN 99 Cb 0.18 -0.16 -0.09 0.00 1.07 0.00 0.00 27.48 28.48 2hpj h GLN 99 CO -0.07 0.48 -0.30 -0.22 -2.65 0.00 0.00 178.83 176.07 2hpj h LYS 100 N 0.74 -0.23 -0.33 1.69 3.64 -0.62 0.26 116.57 121.72 2hpj h LYS 100 Ca 0.27 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 2hpj h LYS 100 Cb 0.06 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2hpj h LYS 100 CO -0.12 -0.16 -0.45 0.82 -2.27 0.00 0.00 179.45 177.27 2hpj h ILE 101 N -0.24 1.28 -0.42 2.00 1.08 -1.32 -1.89 117.51 118.00 2hpj h ILE 101 Ca 0.17 -1.63 0.09 0.00 -0.39 0.00 0.00 64.86 63.10 2hpj h ILE 101 Cb 0.52 1.50 -0.08 0.00 -3.07 0.00 0.00 36.82 35.68 2hpj h ILE 101 CO -0.51 0.54 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.25 2hpj h ARG 102 N 0.69 -0.05 -0.79 2.37 1.12 -1.03 -1.35 114.38 115.35 2hpj h ARG 102 Ca 0.04 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.90 2hpj h ARG 102 Cb 1.04 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.97 2hpj h ARG 102 CO 0.10 -0.03 0.42 -0.44 -3.11 0.00 0.00 179.97 176.91 2hpj h ASP 103 N -0.05 1.00 -0.53 -3.80 3.32 -0.64 -0.84 116.42 114.87 2hpj h ASP 103 Ca 0.20 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2hpj h ASP 103 Cb 0.36 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2hpj h ASP 103 CO -0.45 0.83 0.10 -0.07 -1.72 0.00 0.00 179.24 177.92 2hpj h LEU 104 N 1.10 0.83 -0.29 1.55 3.38 -0.91 -1.97 115.31 119.01 2hpj h LEU 104 Ca 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hpj h LEU 104 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2hpj h LEU 104 CO -0.04 0.87 0.11 0.40 0.09 0.00 0.00 178.44 179.86 2hpj h ILE 105 N 0.76 1.19 -0.94 1.22 2.04 -0.97 -3.00 117.51 117.81 2hpj h ILE 105 Ca 0.16 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2hpj h ILE 105 Cb 0.38 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2hpj h ILE 105 CO 0.01 0.20 0.62 0.00 0.00 0.00 0.00 178.15 178.97 2hpj h ALA 106 N 0.95 1.40 -0.96 1.87 0.00 -0.91 -1.23 119.26 120.38 2hpj h ALA 106 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hpj h ALA 106 Cb 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2hpj h ALA 106 CO -0.01 0.52 0.60 0.82 0.00 0.00 0.00 179.25 181.18 2hpj h ILE 107 N 1.18 1.26 0.00 0.00 2.04 -1.28 -1.43 117.51 119.28 2hpj h ILE 107 Ca 0.37 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2hpj h ILE 107 Cb -0.00 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 35.94 2hpj h ILE 107 CO -0.11 0.26 -0.49 -0.33 0.00 0.00 0.00 178.15 177.48 2hpj h GLU 108 N 1.31 0.00 0.00 2.37 4.39 -1.18 -2.93 114.58 118.54 2hpj h GLU 108 Ca 0.35 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.90 2hpj h GLU 108 Cb -0.10 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2hpj h GLU 108 CO -0.07 0.49 -0.72 0.00 -1.16 0.00 0.00 179.01 177.55 2hpj h ARG 109 N 0.00 0.00 0.00 2.33 3.08 -0.73 -3.52 114.38 115.54 2hpj h ARG 109 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hpj h ARG 109 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2hpj h ARG 109 CO 0.06 0.72 0.00 0.43 -1.07 0.00 0.00 179.97 180.11