#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pba n HIS 2 N 0.00 0.00 -2.04 4.41 1.44 -1.26 -4.75 115.22 113.03 1pba n HIS 2 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1pba n HIS 2 Cb 0.00 -0.30 0.12 0.00 0.12 0.00 0.00 29.99 29.93 1pba n HIS 2 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1pba n SER 3 N -3.11 1.45 0.00 4.39 2.88 -1.26 -4.97 113.62 113.00 1pba n SER 3 Ca -0.15 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.38 1pba n SER 3 Cb 0.63 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pba n GLY 4 N -0.37 3.08 3.59 0.46 0.00 -1.26 -5.08 105.19 105.61 1pba n GLY 4 Ca 0.13 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1pba n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pba n GLU 5 N 0.00 0.20 -4.32 1.61 0.00 -1.26 -4.73 120.64 112.13 1pba n GLU 5 Ca 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 57.16 57.11 1pba n GLU 5 Cb 0.00 -2.19 -0.09 0.00 0.00 0.00 0.00 31.44 29.16 1pba n GLU 5 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1pba s HIS 6 N -2.06 1.56 -1.30 -1.84 3.76 -1.26 -0.18 115.29 113.96 1pba s HIS 6 Ca 0.69 -1.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.19 1pba s HIS 6 Cb -0.30 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.56 1pba s HIS 6 CO 0.55 -0.50 2.71 1.19 -0.85 0.00 0.00 174.74 177.83 1pba n PHE 7 N -0.54 2.31 -4.65 1.40 3.72 -1.26 -4.85 117.46 113.59 1pba n PHE 7 Ca 0.01 -2.79 -0.24 0.00 -0.05 0.00 0.00 57.45 54.37 1pba n PHE 7 Cb 0.65 -2.04 -0.14 0.00 -0.94 0.00 0.00 39.48 37.00 1pba n PHE 7 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1pba s GLU 8 N 0.19 1.32 0.00 -1.08 2.56 -1.26 -5.08 118.70 115.35 1pba s GLU 8 Ca 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.76 1pba s GLU 8 Cb 0.20 -1.37 0.00 0.00 2.00 0.00 0.00 34.13 34.97 1pba s GLU 8 CO -0.09 0.36 0.00 0.41 -0.56 0.00 0.00 175.26 175.38 1pba n GLY 9 N 2.08 0.06 3.22 -1.50 0.00 -1.26 -4.78 105.19 103.01 1pba n GLY 9 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1pba n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pba s GLU 10 N -0.88 2.44 -0.49 1.61 1.03 -1.26 -4.46 118.70 116.68 1pba s GLU 10 Ca 0.00 -1.49 0.03 0.00 0.03 0.00 0.00 54.97 53.54 1pba s GLU 10 Cb 0.00 -3.61 0.13 0.00 -0.80 0.00 0.00 34.13 29.84 1pba s GLU 10 CO 0.00 -0.90 0.24 0.15 -1.33 0.00 0.00 175.26 173.41 1pba s LYS 11 N 1.33 1.95 0.04 -4.83 -0.14 -1.26 -5.05 119.74 111.78 1pba s LYS 11 Ca 0.03 -2.46 0.08 0.00 -1.36 0.00 0.00 55.97 52.25 1pba s LYS 11 Cb -0.22 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 1pba s LYS 11 CO 0.00 -1.08 -0.22 0.54 -0.76 0.00 0.00 175.35 173.83 1pba s VAL 12 N -0.02 2.50 0.01 3.17 0.11 -1.26 -3.74 120.40 121.17 1pba s VAL 12 Ca 0.16 -1.26 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 1pba s VAL 12 Cb -0.24 -2.01 0.01 0.00 -1.53 0.00 0.00 36.38 32.60 1pba s VAL 12 CO -0.02 0.36 0.18 -0.36 -3.33 0.00 0.00 175.10 171.94 1pba s PHE 13 N -0.86 0.02 -0.17 1.54 0.40 -1.26 -4.64 117.98 113.01 1pba s PHE 13 Ca 0.13 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 1pba s PHE 13 Cb -0.10 -0.02 0.02 0.00 0.51 0.00 0.00 43.02 43.43 1pba s PHE 13 CO 0.03 -0.36 -0.17 1.03 0.70 0.00 0.00 175.22 176.46 1pba s ARG 14 N -1.82 2.64 -0.07 0.44 0.52 0.19 -3.79 118.95 117.04 1pba s ARG 14 Ca -0.11 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1pba s ARG 14 Cb -0.05 -2.36 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 1pba s ARG 14 CO -0.00 -0.24 0.97 0.08 0.02 0.00 0.00 175.30 176.13 1pba s VAL 15 N 1.38 4.83 -1.17 3.52 1.01 0.70 -0.85 120.40 129.83 1pba s VAL 15 Ca 0.05 1.99 -0.05 0.00 0.00 0.00 0.00 61.98 63.97 1pba s VAL 15 Cb -0.13 -4.29 0.24 0.00 0.00 0.00 0.00 36.38 32.20 1pba s VAL 15 CO -0.12 0.07 1.88 0.59 0.00 0.00 0.00 175.10 177.53 1pba n ASN 16 N 4.57 6.81 -2.51 3.32 4.13 0.15 -1.23 115.26 130.51 1pba n ASN 16 Ca 0.07 -3.36 -0.34 0.00 1.68 0.00 0.00 54.58 52.63 1pba n ASN 16 Cb 0.50 -1.31 -0.05 0.00 -1.54 0.00 0.00 39.78 37.38 1pba n ASN 16 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1pba n VAL 17 N 1.44 0.00 -0.08 2.41 3.14 -0.93 -4.65 118.33 119.65 1pba n VAL 17 Ca 0.44 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.73 1pba n VAL 17 Cb 0.30 -0.08 -0.03 0.00 -1.06 0.00 0.00 33.84 32.96 1pba n VAL 17 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1pba n GLU 18 N 1.23 0.50 -1.33 1.45 1.02 -1.26 0.13 120.64 122.37 1pba n GLU 18 Ca 0.13 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1pba n GLU 18 Cb 0.02 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1pba n GLU 18 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pba n ASP 19 N -4.52 0.00 -0.02 1.62 8.00 -1.26 -3.29 116.55 117.07 1pba n ASP 19 Ca -0.14 -0.72 -0.09 0.00 0.71 0.00 0.00 54.79 54.54 1pba n ASP 19 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 1pba n ASP 19 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1pba h GLU 20 N 0.00 -0.28 -0.71 -1.24 5.08 -1.97 -2.37 114.58 113.09 1pba h GLU 20 Ca 0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1pba h GLU 20 Cb 0.00 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.22 1pba h GLU 20 CO 0.00 -0.18 -0.37 -1.71 -1.00 0.00 0.00 179.01 175.75 1pba n ASN 21 N -5.38 -0.65 -0.14 1.42 5.15 -1.26 0.89 115.26 115.30 1pba n ASN 21 Ca -0.02 1.26 -0.04 0.00 -0.60 0.00 0.00 54.58 55.18 1pba n ASN 21 Cb 0.29 -0.21 0.02 0.00 -0.53 0.00 0.00 39.78 39.36 1pba n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1pba h ASP 22 N 0.00 -0.58 -0.75 1.20 1.82 -1.82 0.50 116.42 116.78 1pba h ASP 22 Ca 0.16 0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1pba h ASP 22 Cb 0.34 0.34 -0.05 0.00 0.68 0.00 0.00 39.33 40.65 1pba h ASP 22 CO -0.68 -0.20 0.47 0.40 -1.61 0.00 0.00 179.24 177.62 1pba h ILE 23 N -0.07 1.10 0.51 2.25 2.04 0.55 0.44 117.51 124.33 1pba h ILE 23 Ca 0.22 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1pba h ILE 23 Cb 0.40 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1pba h ILE 23 CO -0.50 0.17 -0.25 0.28 0.00 0.00 0.00 178.15 177.85 1pba h SER 24 N 0.91 -0.59 -0.43 1.72 0.02 0.17 0.25 113.55 115.61 1pba h SER 24 Ca 0.30 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1pba h SER 24 Cb 0.03 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.64 1pba h SER 24 CO -0.12 -0.36 -0.14 -0.33 -1.14 0.00 0.00 176.83 174.74 1pba h GLU 25 N -0.77 -0.04 -0.66 3.45 5.08 0.27 -0.70 114.58 121.21 1pba h GLU 25 Ca -0.07 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1pba h GLU 25 Cb 0.57 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1pba h GLU 25 CO 0.12 -0.03 0.41 1.25 -1.00 0.00 0.00 179.01 179.76 1pba h LEU 26 N -0.04 0.66 -1.34 1.33 6.46 0.10 -0.70 115.31 121.78 1pba h LEU 26 Ca 0.21 0.00 0.19 0.00 -0.12 0.00 0.00 57.88 58.17 1pba h LEU 26 Cb 0.36 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.07 1pba h LEU 26 CO -0.47 0.46 0.60 0.45 -0.62 0.00 0.00 178.44 178.87 1pba h HIS 27 N 0.80 0.72 -0.94 1.25 3.86 1.00 0.25 115.15 122.09 1pba h HIS 27 Ca 0.27 0.02 0.27 0.00 -1.16 0.00 0.00 60.37 59.77 1pba h HIS 27 Cb 0.03 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 1pba h HIS 27 CO -0.05 0.19 0.69 1.49 0.86 0.00 0.00 177.93 181.11 1pba h GLU 28 N 0.54 0.00 0.00 2.45 4.81 -0.43 -0.06 114.58 121.88 1pba h GLU 28 Ca 0.50 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.57 1pba h GLU 28 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1pba h GLU 28 CO -0.24 0.00 -0.95 1.25 -0.73 0.00 0.00 179.01 178.34 1pba h LEU 29 N 0.00 0.00 -2.28 1.64 5.85 -0.59 -3.35 115.31 116.58 1pba h LEU 29 Ca 0.45 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1pba h LEU 29 Cb 1.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1pba h LEU 29 CO -0.00 1.29 0.24 0.00 -0.34 0.00 0.00 178.44 179.62 1pba h ALA 30 N -0.52 1.44 -0.54 1.25 0.00 -1.12 -0.26 119.26 119.50 1pba h ALA 30 Ca -0.24 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1pba h ALA 30 Cb 1.11 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 1pba h ALA 30 CO -0.15 -0.28 0.20 0.43 0.00 0.00 0.00 179.25 179.45 1pba n SER 31 N -3.22 4.09 0.08 0.00 7.64 -0.09 -4.47 113.62 117.65 1pba n SER 31 Ca -0.01 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1pba n SER 31 Cb 0.32 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1pba n SER 31 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pba n THR 32 N -0.02 0.63 -3.02 0.44 -2.24 -0.11 -5.05 114.28 104.92 1pba n THR 32 Ca 0.30 0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 62.16 1pba n THR 32 Cb 1.11 -1.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.33 1pba n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pba n ARG 33 N -3.40 0.73 -3.48 -0.78 1.74 -1.22 -5.05 116.66 105.21 1pba n ARG 33 Ca 0.00 -2.03 -0.43 0.00 -0.77 0.00 0.00 57.85 54.62 1pba n ARG 33 Cb 0.00 -0.16 -0.05 0.00 -1.02 0.00 0.00 32.46 31.23 1pba n ARG 33 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1pba s GLN 34 N -3.72 3.28 0.24 5.56 -0.21 -1.26 -4.84 119.66 118.70 1pba s GLN 34 Ca 0.40 -2.60 0.10 0.00 0.02 0.00 0.00 55.36 53.28 1pba s GLN 34 Cb -0.03 -4.17 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 1pba s GLN 34 CO 0.25 -1.25 -0.10 0.96 -2.12 0.00 0.00 175.29 173.04 1pba s ILE 35 N -0.12 3.07 0.18 1.08 -4.36 -1.26 -5.14 121.20 114.64 1pba s ILE 35 Ca 0.19 -1.95 0.09 0.00 -0.26 0.00 0.00 60.65 58.72 1pba s ILE 35 Cb -0.13 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 1pba s ILE 35 CO -0.07 -0.27 -0.19 1.51 0.24 0.00 0.00 174.94 176.15 1pba s ASP 36 N -3.29 2.88 0.18 4.36 -4.77 -1.26 -5.06 116.67 109.71 1pba s ASP 36 Ca 0.28 -0.89 0.11 0.00 -3.30 0.00 0.00 52.55 48.75 1pba s ASP 36 Cb -0.07 -0.18 -0.04 0.00 -1.09 0.00 0.00 42.92 41.53 1pba s ASP 36 CO 0.16 -0.01 -0.24 -0.36 0.70 0.00 0.00 175.17 175.42 1pba s PHE 37 N -2.11 2.26 0.00 2.11 0.40 -1.26 -3.88 117.98 115.49 1pba s PHE 37 Ca 0.18 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.14 1pba s PHE 37 Cb -0.06 -1.14 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1pba s PHE 37 CO 0.08 0.46 0.00 0.91 0.70 0.00 0.00 175.22 177.36 1pba n TRP 38 N 0.40 0.00 -4.21 0.36 8.01 -1.23 -4.38 117.44 116.39 1pba n TRP 38 Ca -0.14 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.71 1pba n TRP 38 Cb 0.55 0.03 -0.14 0.00 -2.01 0.00 0.00 31.31 29.75 1pba n TRP 38 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1pba s LYS 39 N -1.99 3.41 1.09 -0.99 1.02 -1.26 -1.28 119.74 119.73 1pba s LYS 39 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 55.97 55.18 1pba s LYS 39 Cb 0.00 -2.88 0.13 0.00 -0.52 0.00 0.00 37.83 34.55 1pba s LYS 39 CO 0.00 -0.03 0.07 -2.30 -0.92 0.00 0.00 175.35 172.17 1pba n PRO 40 N 4.28 -1.94 -1.38 -1.68 -0.02 -1.24 -0.99 135.00 132.03 1pba n PRO 40 Ca -0.18 -0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 60.34 1pba n PRO 40 Cb 0.52 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 1pba n PRO 40 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1pba n ASP 41 N -1.40 8.60 -3.62 2.55 2.03 -0.40 -4.77 116.55 119.53 1pba n ASP 41 Ca 0.03 -2.63 0.04 0.00 0.52 0.00 0.00 54.79 52.75 1pba n ASP 41 Cb 0.52 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 1pba n ASP 41 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1pba s SER 42 N 2.03 -0.01 0.00 1.67 0.15 -1.26 -4.96 113.70 111.32 1pba s SER 42 Ca 0.68 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1pba s SER 42 Cb 0.18 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1pba s SER 42 CO -0.06 -0.03 0.25 0.55 1.20 0.00 0.00 173.24 175.14 1pba n VAL 43 N -0.57 0.00 -0.03 4.45 3.14 -1.26 -4.78 118.33 119.28 1pba n VAL 43 Ca -0.08 -0.26 -0.06 0.00 -2.96 0.00 0.00 64.34 60.99 1pba n VAL 43 Cb 0.63 1.48 -0.02 0.00 -1.06 0.00 0.00 33.84 34.87 1pba n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1pba n THR 44 N -0.01 0.34 -0.82 1.55 -2.24 -1.26 -4.69 114.28 107.15 1pba n THR 44 Ca 0.00 -0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 1pba n THR 44 Cb 0.12 -1.43 -0.11 0.00 -2.10 0.00 0.00 70.33 66.81 1pba n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pba n GLN 45 N -3.17 1.64 -4.53 -0.78 6.02 -1.26 -4.82 117.38 110.48 1pba n GLN 45 Ca -0.12 -0.64 -0.32 0.00 -0.01 0.00 0.00 57.00 55.92 1pba n GLN 45 Cb 0.59 -1.64 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 1pba n GLN 45 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pba s ILE 46 N 0.62 3.34 0.28 5.09 1.09 -1.26 -4.91 121.20 125.45 1pba s ILE 46 Ca 0.43 -0.93 0.10 0.00 -1.10 0.00 0.00 60.65 59.15 1pba s ILE 46 Cb 0.20 -2.44 -0.05 0.00 -1.06 0.00 0.00 42.46 39.12 1pba s ILE 46 CO -0.00 0.37 -0.07 -1.59 -0.10 0.00 0.00 174.94 173.55 1pba s LYS 47 N -1.45 2.07 0.48 2.79 -2.85 -1.26 -5.08 119.74 114.43 1pba s LYS 47 Ca 0.16 -1.57 -0.20 0.00 -1.00 0.00 0.00 55.97 53.37 1pba s LYS 47 Cb -0.11 -2.01 -0.12 0.00 -2.06 0.00 0.00 37.83 33.53 1pba s LYS 47 CO 0.07 0.33 0.35 -2.30 0.10 0.00 0.00 175.35 173.90 1pba n PRO 48 N -0.81 0.36 -3.34 1.78 -0.02 -1.26 -3.69 135.00 128.02 1pba n PRO 48 Ca -0.06 0.14 -0.18 0.00 -2.02 0.00 0.00 63.50 61.38 1pba n PRO 48 Cb 0.60 -1.40 0.06 0.00 -0.02 0.00 0.00 33.50 32.74 1pba n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pba n HIS 49 N -1.25 -2.35 -4.18 6.00 8.25 0.34 -4.95 115.22 117.07 1pba n HIS 49 Ca 0.11 0.77 -0.12 0.00 -0.26 0.00 0.00 57.72 58.22 1pba n HIS 49 Cb 0.43 -3.97 -0.09 0.00 1.12 0.00 0.00 29.99 27.48 1pba n HIS 49 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pba s SER 50 N -3.40 0.26 -0.30 0.41 0.01 -1.19 -4.97 113.70 104.53 1pba s SER 50 Ca 0.46 -1.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 1pba s SER 50 Cb -0.08 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.61 1pba s SER 50 CO 0.77 -0.91 0.03 0.42 0.41 0.00 0.00 173.24 173.96 1pba s THR 51 N -4.05 3.42 -0.18 1.44 -4.23 -1.26 -2.19 115.64 108.59 1pba s THR 51 Ca 0.37 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1pba s THR 51 Cb 0.05 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1pba s THR 51 CO 0.13 -0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.46 1pba s VAL 52 N 1.37 3.47 0.33 2.29 1.01 -0.37 -3.66 120.40 124.85 1pba s VAL 52 Ca -0.01 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1pba s VAL 52 Cb -0.18 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1pba s VAL 52 CO 0.00 0.47 -0.02 1.51 0.00 0.00 0.00 175.10 177.06 1pba s ASP 53 N 0.83 4.11 0.09 3.32 -4.77 -0.16 -0.21 116.67 119.88 1pba s ASP 53 Ca -0.02 -0.99 0.00 0.00 -3.30 0.00 0.00 52.55 48.25 1pba s ASP 53 Cb -0.15 -0.52 0.00 0.00 -1.09 0.00 0.00 42.92 41.16 1pba s ASP 53 CO 0.01 -0.18 0.01 0.49 0.70 0.00 0.00 175.17 176.20 1pba n PHE 54 N -0.90 -0.03 -3.20 2.11 3.01 -1.25 -3.54 117.46 113.66 1pba n PHE 54 Ca -0.05 -0.41 -0.32 0.00 1.01 0.00 0.00 57.45 57.68 1pba n PHE 54 Cb 0.62 -0.06 -0.06 0.00 -0.01 0.00 0.00 39.48 39.97 1pba n PHE 54 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1pba s ARG 55 N -2.31 3.93 -0.55 -1.08 1.70 -1.25 -4.79 118.95 114.59 1pba s ARG 55 Ca 0.01 0.54 -0.02 0.00 -0.47 0.00 0.00 55.73 55.79 1pba s ARG 55 Cb -0.00 -2.49 0.33 0.00 -0.57 0.00 0.00 34.95 32.22 1pba s ARG 55 CO 0.00 0.19 2.09 1.33 -1.08 0.00 0.00 175.30 177.83 1pba n VAL 56 N -0.37 3.32 -1.97 4.99 0.24 -1.25 -4.79 118.33 118.50 1pba n VAL 56 Ca 0.03 -2.64 -0.42 0.00 -2.04 0.00 0.00 64.34 59.26 1pba n VAL 56 Cb 0.53 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1pba n VAL 56 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1pba n LYS 57 N -0.31 3.12 0.00 7.34 3.00 -1.26 -4.20 118.16 125.85 1pba n LYS 57 Ca 0.50 -2.94 0.00 0.00 -0.00 0.00 0.00 58.31 55.87 1pba n LYS 57 Cb 0.58 -3.17 0.00 0.00 0.00 0.00 0.00 35.03 32.44 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pba n ALA 58 N 5.43 0.00 -0.16 3.14 0.00 -1.26 0.19 120.51 127.85 1pba n ALA 58 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 1pba n ALA 58 Cb 0.38 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.90 1pba n ALA 58 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pba h GLU 59 N 0.00 0.14 -0.96 0.00 9.09 -1.92 -0.11 114.58 120.82 1pba h GLU 59 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 1pba h GLU 59 Cb 0.00 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.04 1pba h GLU 59 CO 0.00 0.09 0.05 -3.47 0.05 0.00 0.00 179.01 175.73 1pba n ASP 60 N -5.21 2.42 0.00 3.06 2.03 0.51 -4.59 116.55 114.77 1pba n ASP 60 Ca 0.06 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 53.14 1pba n ASP 60 Cb 0.27 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1pba n ILE 61 N 0.15 0.00 0.00 5.18 2.08 -0.05 -4.67 119.36 122.05 1pba n ILE 61 Ca 0.08 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.39 1pba n ILE 61 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.44 1pba n ILE 61 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1pba n LEU 62 N 0.00 0.00 -0.26 1.39 4.77 -1.26 -0.56 117.00 121.08 1pba n LEU 62 Ca 0.00 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.19 1pba n LEU 62 Cb 0.00 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 1pba n LEU 62 CO 0.00 0.00 1.23 0.00 -1.33 0.00 0.00 177.39 177.29 1pba h ALA 63 N 0.00 2.30 -0.33 -1.18 0.00 -1.91 0.28 119.26 118.43 1pba h ALA 63 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1pba h ALA 63 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pba h ALA 63 CO 0.00 -0.62 -0.02 0.28 0.00 0.00 0.00 179.25 178.89 1pba h VAL 64 N 0.35 1.26 0.71 0.00 2.07 -1.10 0.34 116.25 119.89 1pba h VAL 64 Ca 0.50 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1pba h VAL 64 Cb 1.34 1.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1pba h VAL 64 CO -0.18 0.33 -0.35 -0.33 0.02 0.00 0.00 177.57 177.06 1pba h GLU 65 N 0.39 -0.93 0.04 1.57 5.08 -0.79 0.31 114.58 120.27 1pba h GLU 65 Ca 0.09 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1pba h GLU 65 Cb 0.48 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1pba h GLU 65 CO 0.02 -0.62 -0.54 0.22 -1.00 0.00 0.00 179.01 177.10 1pba h ASP 66 N -0.96 -1.64 -0.35 1.42 3.58 -0.78 0.32 116.42 118.01 1pba h ASP 66 Ca -0.10 0.18 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1pba h ASP 66 Cb 0.74 0.62 -0.09 0.00 1.72 0.00 0.00 39.33 42.32 1pba h ASP 66 CO 0.16 -0.54 -0.35 0.15 -2.88 0.00 0.00 179.24 175.78 1pba h PHE 67 N -0.71 -0.99 -0.69 0.28 3.04 -0.19 0.66 116.94 118.34 1pba h PHE 67 Ca 0.01 0.06 0.13 0.00 3.98 0.00 0.00 57.97 62.14 1pba h PHE 67 Cb 0.74 0.49 -0.04 0.00 2.56 0.00 0.00 35.95 39.69 1pba h PHE 67 CO -0.50 -0.40 0.47 -0.07 -2.02 0.00 0.00 178.31 175.79 1pba h LEU 68 N -0.30 0.39 0.31 0.59 3.38 0.22 -1.24 115.31 118.66 1pba h LEU 68 Ca 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1pba h LEU 68 Cb 0.56 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1pba h LEU 68 CO -0.52 0.22 -0.15 -0.08 0.09 0.00 0.00 178.44 178.00 1pba h GLU 69 N 0.42 -0.40 -0.95 1.13 4.57 0.36 0.77 114.58 120.48 1pba h GLU 69 Ca 0.33 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.78 1pba h GLU 69 Cb 0.72 0.09 -0.18 0.00 -0.16 0.00 0.00 28.75 29.22 1pba h GLU 69 CO -0.10 -0.26 -0.04 1.96 -1.18 0.00 0.00 179.01 179.38 1pba h GLN 70 N -0.74 0.02 -0.95 1.92 4.20 0.43 0.73 115.11 120.72 1pba h GLN 70 Ca -0.04 -0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.05 1pba h GLN 70 Cb 0.32 -0.00 -0.30 0.00 0.30 0.00 0.00 27.48 27.79 1pba h GLN 70 CO 0.07 0.01 0.63 0.09 -0.67 0.00 0.00 178.83 178.96 1pba n ASN 71 N -5.50 6.46 -1.98 1.46 3.02 -0.50 -4.93 115.26 113.30 1pba n ASN 71 Ca 0.20 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.00 1pba n ASN 71 Cb 0.65 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pba n GLU 72 N -0.95 -0.69 -2.47 3.52 1.02 0.25 -4.64 120.64 116.68 1pba n GLU 72 Ca 0.59 -0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 57.21 1pba n GLU 72 Cb 0.90 0.23 -0.02 0.00 -0.02 0.00 0.00 31.44 32.53 1pba n GLU 72 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pba s LEU 73 N -2.51 3.63 0.00 -4.62 2.96 0.22 -4.75 118.68 113.61 1pba s LEU 73 Ca 0.00 -2.12 0.00 0.00 -0.22 0.00 0.00 54.13 51.79 1pba s LEU 73 Cb 0.00 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.11 1pba s LEU 73 CO 0.00 -1.61 0.00 1.67 -1.32 0.00 0.00 176.35 175.09 1pba n GLN 74 N 8.46 0.00 -3.98 1.98 0.00 -1.26 -4.61 117.38 117.96 1pba n GLN 74 Ca 0.46 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 57.10 1pba n GLN 74 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.62 1pba n GLN 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1pba s TYR 75 N 0.00 3.36 0.38 3.69 1.13 -1.26 0.32 117.35 124.98 1pba s TYR 75 Ca 0.00 0.27 0.04 0.00 -1.41 0.00 0.00 57.07 55.97 1pba s TYR 75 Cb 0.00 -2.00 -0.06 0.00 -1.10 0.00 0.00 41.96 38.80 1pba s TYR 75 CO 0.00 0.40 0.05 -2.00 -2.51 0.00 0.00 175.55 171.49 1pba s GLU 76 N -0.25 1.83 0.50 -3.49 2.12 -0.03 -4.82 118.70 114.57 1pba s GLU 76 Ca 0.09 -2.05 0.02 0.00 0.36 0.00 0.00 54.97 53.38 1pba s GLU 76 Cb -0.12 -1.12 -0.02 0.00 0.26 0.00 0.00 34.13 33.13 1pba s GLU 76 CO 0.01 -0.20 0.01 0.08 -0.54 0.00 0.00 175.26 174.62 1pba s VAL 77 N -3.08 1.28 -0.45 3.70 1.01 -1.26 0.52 120.40 122.12 1pba s VAL 77 Ca 0.31 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1pba s VAL 77 Cb 0.08 -2.27 0.47 0.00 0.00 0.00 0.00 36.38 34.65 1pba s VAL 77 CO 0.15 0.00 1.59 0.18 0.00 0.00 0.00 175.10 177.02 1pba n LEU 78 N -1.24 6.03 -3.52 3.92 4.77 -1.26 -4.81 117.00 120.90 1pba n LEU 78 Ca -0.17 -4.42 -0.29 0.00 -0.03 0.00 0.00 56.01 51.10 1pba n LEU 78 Cb 0.67 -0.65 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 1pba n LEU 78 CO 0.39 1.73 -0.30 -0.63 -1.33 0.00 0.00 177.39 177.25 1pba s ILE 79 N -4.51 0.51 -0.61 -0.08 1.01 -1.26 -4.91 121.20 111.35 1pba s ILE 79 Ca 0.56 -2.09 0.21 0.00 0.00 0.00 0.00 60.65 59.34 1pba s ILE 79 Cb 0.45 -1.37 -0.27 0.00 0.01 0.00 0.00 42.46 41.29 1pba s ILE 79 CO 0.02 -1.01 0.74 -3.20 0.00 0.00 0.00 174.94 171.50 1pba n ASN 80 N 3.71 0.60 0.00 3.58 4.05 -1.26 -5.26 115.26 120.68 1pba n ASN 80 Ca 0.14 -0.58 0.00 0.00 0.45 0.00 0.00 54.58 54.59 1pba n ASN 80 Cb 0.38 1.37 0.00 0.00 1.23 0.00 0.00 39.78 42.76 1pba n ASN 80 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75