#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 -3.43 4.41 -0.00 -1.26 0.15 115.22 115.08 1pba n HIS 2 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 1pba n HIS 2 Cb 0.00 -0.01 -0.08 0.00 -0.12 0.00 0.00 29.99 29.78 1pba n HIS 2 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1pba n SER 3 N -0.12 3.24 0.00 0.26 7.64 -1.26 -4.86 113.62 118.52 1pba n SER 3 Ca 0.00 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1pba n SER 3 Cb 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pba n GLY 4 N 1.03 -1.53 2.61 0.23 0.00 0.38 -5.04 105.19 102.87 1pba n GLY 4 Ca 0.28 0.70 -0.41 0.00 0.00 0.00 0.00 46.02 46.59 1pba n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pba n GLU 5 N 0.00 3.11 -1.23 1.61 4.71 -1.25 0.16 120.64 127.75 1pba n GLU 5 Ca 0.00 -2.48 -0.31 0.00 -0.01 0.00 0.00 57.16 54.35 1pba n GLU 5 Cb 0.00 -3.14 -0.07 0.00 -1.01 0.00 0.00 31.44 27.22 1pba n GLU 5 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1pba n HIS 6 N 5.35 1.74 -3.31 -0.32 8.25 -1.26 -4.45 115.22 121.23 1pba n HIS 6 Ca 0.60 -2.65 -0.16 0.00 -0.26 0.00 0.00 57.72 55.25 1pba n HIS 6 Cb 0.34 -2.24 0.08 0.00 1.12 0.00 0.00 29.99 29.29 1pba n HIS 6 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1pba n PHE 7 N 3.26 -2.05 0.00 4.41 3.72 -1.26 -4.97 117.46 120.57 1pba n PHE 7 Ca 0.69 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.94 1pba n PHE 7 Cb 0.42 -4.74 0.00 0.00 -0.94 0.00 0.00 39.48 34.22 1pba n PHE 7 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1pba n GLU 8 N -3.90 0.00 0.00 -1.08 2.13 -1.26 -4.90 120.64 111.63 1pba n GLU 8 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1pba n GLU 8 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pba n GLY 9 N 5.00 2.07 3.85 8.31 0.00 -1.26 -4.83 105.19 118.33 1pba n GLY 9 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 2.88 0.18 1.61 -1.05 -1.26 -3.73 118.70 117.33 1pba s GLU 10 Ca 0.00 -1.14 -0.10 0.00 -0.15 0.00 0.00 54.97 53.58 1pba s GLU 10 Cb 0.00 -2.56 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 1pba s GLU 10 CO 0.00 0.26 0.33 0.15 0.95 0.00 0.00 175.26 176.95 1pba s LYS 11 N -3.93 1.24 -0.01 -4.83 1.02 -1.26 -4.83 119.74 107.14 1pba s LYS 11 Ca 0.37 -1.17 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1pba s LYS 11 Cb -0.07 0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1pba s LYS 11 CO 0.26 -0.47 -0.13 0.14 -0.92 0.00 0.00 175.35 174.23 1pba s VAL 12 N -3.97 3.14 0.01 3.17 -7.23 -1.26 -2.23 120.40 112.01 1pba s VAL 12 Ca 0.18 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1pba s VAL 12 Cb 0.02 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 1pba s VAL 12 CO 0.01 0.47 0.05 -0.36 -0.31 0.00 0.00 175.10 174.96 1pba s PHE 13 N -0.86 0.12 0.04 2.82 0.08 0.24 -4.86 117.98 115.57 1pba s PHE 13 Ca 0.14 -0.27 0.07 0.00 0.12 0.00 0.00 56.93 56.99 1pba s PHE 13 Cb -0.11 -0.10 -0.02 0.00 -0.57 0.00 0.00 43.02 42.22 1pba s PHE 13 CO 0.04 -0.21 -0.21 -0.98 -0.10 0.00 0.00 175.22 173.75 1pba s ARG 14 N -1.22 1.46 -0.05 0.44 1.70 -0.93 -1.12 118.95 119.23 1pba s ARG 14 Ca -0.13 -0.94 0.02 0.00 -0.47 0.00 0.00 55.73 54.21 1pba s ARG 14 Cb -0.08 -1.57 -0.03 0.00 -0.57 0.00 0.00 34.95 32.70 1pba s ARG 14 CO 0.00 0.40 -0.09 0.08 -1.08 0.00 0.00 175.30 174.61 1pba s VAL 15 N -0.77 3.48 -0.33 4.99 1.01 0.74 -1.93 120.40 127.59 1pba s VAL 15 Ca 0.08 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1pba s VAL 15 Cb -0.09 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1pba s VAL 15 CO 0.02 0.56 0.21 0.20 0.00 0.00 0.00 175.10 176.09 1pba s ASN 16 N -0.90 5.91 -0.03 3.32 0.01 0.58 0.16 114.94 124.00 1pba s ASN 16 Ca 0.13 -0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 51.77 1pba s ASN 16 Cb -0.11 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 1pba s ASN 16 CO 0.02 -0.22 0.23 -0.69 -1.51 0.00 0.00 177.10 174.94 1pba s VAL 17 N 1.69 5.35 -0.12 1.60 1.01 0.10 -4.67 120.40 125.37 1pba s VAL 17 Ca 0.06 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1pba s VAL 17 Cb -0.17 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1pba s VAL 17 CO 0.09 0.45 -0.20 -0.62 0.00 0.00 0.00 175.10 174.82 1pba n GLU 18 N 1.39 0.32 0.00 2.72 -0.58 -1.26 -2.48 120.64 120.75 1pba n GLU 18 Ca -0.14 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pba n GLU 18 Cb 0.53 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1pba n GLU 18 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pba n ASP 19 N -3.83 0.00 0.08 1.62 5.75 -1.26 -1.43 116.55 117.48 1pba n ASP 19 Ca -0.22 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.45 1pba n ASP 19 Cb 0.55 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.54 1pba n ASP 19 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1pba h GLU 20 N 0.00 0.15 0.00 0.11 5.08 -1.99 -3.34 114.58 114.59 1pba h GLU 20 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1pba h GLU 20 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1pba h GLU 20 CO 0.00 1.08 0.00 0.09 -1.00 0.00 0.00 179.01 179.18 1pba n ASN 21 N -3.49 0.00 -0.32 1.42 3.02 -1.26 -0.35 115.26 114.29 1pba n ASN 21 Ca -0.04 0.85 0.17 0.00 -0.03 0.00 0.00 54.58 55.53 1pba n ASN 21 Cb 0.95 -0.35 0.42 0.00 -0.61 0.00 0.00 39.78 40.18 1pba n ASN 21 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1pba h ASP 22 N 0.00 0.60 -0.27 6.41 3.58 -1.96 0.13 116.42 124.91 1pba h ASP 22 Ca 0.00 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1pba h ASP 22 Cb 0.00 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1pba h ASP 22 CO 0.00 0.19 0.05 0.40 -2.88 0.00 0.00 179.24 177.00 1pba h ILE 23 N 0.57 1.23 -0.63 2.25 2.04 -1.51 0.20 117.51 121.66 1pba h ILE 23 Ca 0.56 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1pba h ILE 23 Cb 1.15 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.38 1pba h ILE 23 CO -0.32 0.25 0.31 0.28 0.00 0.00 0.00 178.15 178.66 1pba h SER 24 N 0.26 0.41 0.45 1.72 0.02 0.19 0.25 113.55 116.85 1pba h SER 24 Ca 0.08 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1pba h SER 24 Cb 0.32 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1pba h SER 24 CO 0.00 0.25 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.40 1pba h GLU 25 N 0.55 -0.58 -1.07 3.45 4.39 -0.87 -3.08 114.58 117.36 1pba h GLU 25 Ca 0.30 0.04 0.31 0.00 0.34 0.00 0.00 59.36 60.36 1pba h GLU 25 Cb 0.28 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 28.94 1pba h GLU 25 CO -0.23 -0.39 0.66 1.25 -1.16 0.00 0.00 179.01 179.14 1pba h LEU 26 N -0.73 0.47 -1.38 1.33 5.85 -0.43 0.18 115.31 120.60 1pba h LEU 26 Ca -0.06 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1pba h LEU 26 Cb 0.46 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1pba h LEU 26 CO 0.10 -0.04 0.48 -0.74 -0.34 0.00 0.00 178.44 177.91 1pba h HIS 27 N 0.34 0.75 -0.17 1.25 2.76 -0.41 -0.83 115.15 118.85 1pba h HIS 27 Ca 0.69 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.93 1pba h HIS 27 Cb 1.72 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 1pba h HIS 27 CO -0.01 0.38 0.12 1.49 -1.30 0.00 0.00 177.93 178.62 1pba h GLU 28 N 0.73 0.01 0.00 5.26 4.81 -0.61 0.28 114.58 125.07 1pba h GLU 28 Ca 0.33 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1pba h GLU 28 Cb 0.33 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1pba h GLU 28 CO -0.11 0.01 0.00 1.25 -0.73 0.00 0.00 179.01 179.43 1pba h LEU 29 N 0.01 0.00 -3.18 1.64 5.85 -1.24 0.20 115.31 118.59 1pba h LEU 29 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1pba h LEU 29 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1pba h LEU 29 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1pba n ALA 30 N -1.87 3.02 0.00 1.25 0.00 0.97 -3.91 120.51 119.98 1pba n ALA 30 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1pba n ALA 30 Cb 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1pba n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pba n SER 31 N 0.62 3.20 -0.05 0.00 2.88 0.50 -4.93 113.62 115.84 1pba n SER 31 Ca 0.23 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.70 1pba n SER 31 Cb 0.86 0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 64.89 1pba n SER 31 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pba n THR 32 N -1.04 1.41 -4.15 2.46 -2.24 0.04 -5.07 114.28 105.70 1pba n THR 32 Ca 0.00 0.19 -0.28 0.00 -2.27 0.00 0.00 64.05 61.70 1pba n THR 32 Cb 0.05 -2.11 -0.04 0.00 -2.10 0.00 0.00 70.33 66.13 1pba n THR 32 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1pba s ARG 33 N -2.63 2.24 0.10 -0.78 3.52 -1.25 -5.11 118.95 115.04 1pba s ARG 33 Ca -0.21 -2.08 0.03 0.00 -0.13 0.00 0.00 55.73 53.35 1pba s ARG 33 Cb 0.03 -1.94 -0.04 0.00 -1.56 0.00 0.00 34.95 31.45 1pba s ARG 33 CO 0.31 -0.45 0.12 -0.65 -0.81 0.00 0.00 175.30 173.81 1pba s GLN 34 N -4.11 2.96 0.00 5.12 -0.21 -1.26 -4.41 119.66 117.75 1pba s GLN 34 Ca 0.28 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1pba s GLN 34 Cb -0.00 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.27 1pba s GLN 34 CO 0.17 0.54 0.00 0.44 -2.12 0.00 0.00 175.29 174.32 1pba n ILE 35 N 0.17 0.00 -4.18 1.08 -5.35 -1.26 -5.02 119.36 104.80 1pba n ILE 35 Ca -0.08 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.23 1pba n ILE 35 Cb 0.52 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.28 1pba n ILE 35 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1pba s ASP 36 N 0.95 0.69 -0.05 7.28 2.15 -0.90 -4.96 116.67 121.82 1pba s ASP 36 Ca 0.00 -0.10 0.05 0.00 0.43 0.00 0.00 52.55 52.93 1pba s ASP 36 Cb 0.00 -0.11 -0.02 0.00 -0.30 0.00 0.00 42.92 42.49 1pba s ASP 36 CO 0.00 0.06 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.48 1pba s PHE 37 N -0.01 2.50 -0.07 -5.34 0.08 -1.26 -0.74 117.98 113.14 1pba s PHE 37 Ca 0.01 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 1pba s PHE 37 Cb -0.04 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1pba s PHE 37 CO -0.00 -0.08 -0.12 1.87 -0.10 0.00 0.00 175.22 176.79 1pba n TRP 38 N 2.73 0.00 -4.07 0.36 -0.00 0.02 -4.93 117.44 111.55 1pba n TRP 38 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.23 1pba n TRP 38 Cb 0.52 -0.29 -0.11 0.00 -0.00 0.00 0.00 31.31 31.43 1pba n TRP 38 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pba s LYS 39 N -2.20 0.55 -0.12 5.87 1.02 0.09 -4.82 119.74 120.14 1pba s LYS 39 Ca -0.12 -0.95 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 1pba s LYS 39 Cb 0.04 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1pba s LYS 39 CO 0.16 -0.04 -0.04 -1.35 -0.92 0.00 0.00 175.35 173.16 1pba h PRO 40 N 3.87 0.00 0.00 -1.68 0.11 -1.84 0.20 132.00 132.67 1pba h PRO 40 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pba h PRO 40 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pba h PRO 40 CO 0.52 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 1pba n ASP 41 N -4.71 0.00 0.00 -2.05 5.75 -1.26 -5.11 116.55 109.17 1pba n ASP 41 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1pba n ASP 41 Cb 0.12 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1pba n ASP 41 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1pba n SER 42 N -2.15 0.00 -0.44 -1.12 2.88 -1.26 -4.88 113.62 106.64 1pba n SER 42 Ca 0.00 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 57.90 1pba n SER 42 Cb 0.00 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 1pba n SER 42 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1pba h VAL 43 N 1.00 0.24 -0.17 2.46 -1.51 -1.98 -2.26 116.25 114.03 1pba h VAL 43 Ca 0.00 -0.04 -0.55 0.00 -1.23 0.00 0.00 66.70 64.88 1pba h VAL 43 Cb 0.00 0.11 0.02 0.00 -2.13 0.00 0.00 31.29 29.29 1pba h VAL 43 CO 0.00 0.02 1.91 0.35 -1.23 0.00 0.00 177.57 178.62 1pba n THR 44 N -4.46 1.91 0.00 7.19 -2.24 -1.26 -2.19 114.28 113.23 1pba n THR 44 Ca 0.34 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1pba n THR 44 Cb 1.38 -2.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 7.44 0.00 -2.57 -0.78 6.02 -1.14 -5.06 117.38 121.29 1pba n GLN 45 Ca 0.48 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 57.22 1pba n GLN 45 Cb 0.43 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.71 1pba n GLN 45 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1pba s ILE 46 N -2.00 3.54 0.34 5.09 2.07 -0.86 -4.78 121.20 124.60 1pba s ILE 46 Ca 0.00 -0.23 0.09 0.00 -1.41 0.00 0.00 60.65 59.10 1pba s ILE 46 Cb 0.00 -3.38 -0.05 0.00 0.13 0.00 0.00 42.46 39.16 1pba s ILE 46 CO 0.00 -0.34 0.06 -0.54 -1.91 0.00 0.00 174.94 172.21 1pba s LYS 47 N -4.87 2.19 0.68 3.50 3.01 -1.26 -5.03 119.74 117.96 1pba s LYS 47 Ca 0.53 -1.69 -0.06 0.00 -1.01 0.00 0.00 55.97 53.74 1pba s LYS 47 Cb -0.10 -2.01 0.15 0.00 -1.01 0.00 0.00 37.83 34.85 1pba s LYS 47 CO 0.42 0.11 0.93 -0.35 0.51 0.00 0.00 175.35 176.97 1pba n PRO 48 N -1.03 -0.46 -1.91 -1.68 -0.04 -1.26 -4.41 135.00 124.22 1pba n PRO 48 Ca -0.04 -1.95 -0.11 0.00 -0.04 0.00 0.00 63.50 61.36 1pba n PRO 48 Cb 0.62 -0.79 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 1pba n PRO 48 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pba n HIS 49 N -2.98 -0.99 -4.24 0.54 8.25 -0.52 -4.89 115.22 110.39 1pba n HIS 49 Ca 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 1pba n HIS 49 Cb 0.47 -2.46 -0.10 0.00 1.12 0.00 0.00 29.99 29.02 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 -1.99 0.78 0.02 0.41 0.01 -1.10 -5.01 113.70 106.83 1pba s SER 50 Ca 0.00 -1.31 0.02 0.00 1.31 0.00 0.00 55.95 55.97 1pba s SER 50 Cb 0.00 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1pba s SER 50 CO 0.00 -0.73 -0.00 0.42 0.41 0.00 0.00 173.24 173.34 1pba s THR 51 N -3.89 4.10 -0.04 1.44 -4.23 -1.26 -0.72 115.64 111.04 1pba s THR 51 Ca 0.33 -0.70 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 1pba s THR 51 Cb 0.07 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1pba s THR 51 CO 0.09 0.31 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.68 1pba s VAL 52 N -1.14 3.31 -0.23 2.29 1.01 0.12 -4.51 120.40 121.26 1pba s VAL 52 Ca 0.21 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1pba s VAL 52 Cb -0.12 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1pba s VAL 52 CO 0.12 0.54 -0.09 -0.62 0.00 0.00 0.00 175.10 175.05 1pba s ASP 53 N -0.93 3.88 0.31 3.32 -1.08 0.72 -0.18 116.67 122.70 1pba s ASP 53 Ca 0.13 -1.14 0.06 0.00 -0.52 0.00 0.00 52.55 51.08 1pba s ASP 53 Cb -0.11 -1.33 -0.03 0.00 -1.46 0.00 0.00 42.92 39.99 1pba s ASP 53 CO 0.02 -0.18 0.26 0.72 0.52 0.00 0.00 175.17 176.51 1pba s PHE 54 N 1.30 1.69 0.17 -5.34 -0.71 -0.27 -0.73 117.98 114.08 1pba s PHE 54 Ca -0.05 -1.63 -0.00 0.00 -1.04 0.00 0.00 56.93 54.20 1pba s PHE 54 Cb -0.18 -0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 40.89 1pba s PHE 54 CO -0.07 -0.84 0.08 1.03 -1.34 0.00 0.00 175.22 174.07 1pba s ARG 55 N -3.53 1.08 -0.40 1.99 0.52 0.08 -0.59 118.95 118.10 1pba s ARG 55 Ca 0.41 -1.54 0.05 0.00 -0.52 0.00 0.00 55.73 54.12 1pba s ARG 55 Cb 0.03 0.13 0.44 0.00 0.52 0.00 0.00 34.95 36.07 1pba s ARG 55 CO 0.26 -0.29 1.24 0.28 0.02 0.00 0.00 175.30 176.82 1pba n VAL 56 N -0.21 2.58 0.00 3.52 0.31 -0.95 -2.11 118.33 121.47 1pba n VAL 56 Ca -0.03 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.86 1pba n VAL 56 Cb 0.65 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1pba n VAL 56 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1pba n LYS 57 N -0.62 0.00 -3.43 5.55 2.85 -1.26 0.04 118.16 121.28 1pba n LYS 57 Ca 0.43 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.54 1pba n LYS 57 Cb 0.79 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.12 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pba n ALA 58 N 0.00 -1.52 -3.56 0.58 0.00 -1.24 -4.82 120.51 109.95 1pba n ALA 58 Ca 0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 1pba n ALA 58 Cb 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.97 1pba n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pba n GLU 59 N -2.83 2.80 -2.03 0.00 1.02 0.11 -4.69 120.64 115.02 1pba n GLU 59 Ca -0.16 -4.51 -0.14 0.00 -0.02 0.00 0.00 57.16 52.33 1pba n GLU 59 Cb 0.35 -2.41 -0.03 0.00 -0.02 0.00 0.00 31.44 29.34 1pba n GLU 59 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pba n ASP 60 N 2.07 -4.13 0.00 1.62 8.00 -1.26 -4.76 116.55 118.08 1pba n ASP 60 Ca 0.23 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1pba n ASP 60 Cb 0.37 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1pba n ILE 61 N -2.90 0.00 -0.29 0.53 2.08 -1.26 -0.43 119.36 117.08 1pba n ILE 61 Ca -0.16 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.19 1pba n ILE 61 Cb 0.57 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.56 1pba n ILE 61 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1pba n LEU 62 N -0.51 -0.31 -0.01 1.39 7.94 -1.26 -0.10 117.00 124.14 1pba n LEU 62 Ca 0.00 1.40 0.23 0.00 -1.11 0.00 0.00 56.01 56.54 1pba n LEU 62 Cb 0.00 -0.42 0.71 0.00 0.53 0.00 0.00 43.42 44.25 1pba n LEU 62 CO 0.00 -1.34 1.21 0.00 -1.11 0.00 0.00 177.39 176.15 1pba h ALA 63 N 1.59 2.38 0.08 1.96 0.00 -1.07 0.38 119.26 124.58 1pba h ALA 63 Ca 0.38 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 1pba h ALA 63 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pba h ALA 63 CO -0.84 -0.88 -1.32 0.28 0.00 0.00 0.00 179.25 176.50 1pba h VAL 64 N 0.00 1.03 -0.83 0.00 2.07 -0.71 0.35 116.25 118.16 1pba h VAL 64 Ca 0.28 -2.34 0.19 0.00 0.82 0.00 0.00 66.70 65.64 1pba h VAL 64 Cb 1.42 2.64 -0.11 0.00 -1.52 0.00 0.00 31.29 33.72 1pba h VAL 64 CO -0.00 0.63 0.32 -0.33 0.02 0.00 0.00 177.57 178.21 1pba h GLU 65 N -0.48 0.38 0.00 1.57 5.08 -0.77 0.14 114.58 120.49 1pba h GLU 65 Ca -0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1pba h GLU 65 Cb 1.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1pba h GLU 65 CO -0.00 0.25 0.00 -3.47 -1.00 0.00 0.00 179.01 174.79 1pba n ASP 66 N -5.06 0.00 -0.17 1.42 2.03 0.11 -1.23 116.55 113.65 1pba n ASP 66 Ca 0.18 0.89 0.03 0.00 0.52 0.00 0.00 54.79 56.41 1pba n ASP 66 Cb 0.54 -0.50 0.07 0.00 -0.72 0.00 0.00 41.12 40.51 1pba n ASP 66 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1pba n PHE 67 N -2.00 0.17 0.06 -0.67 -0.00 0.12 0.12 117.46 115.26 1pba n PHE 67 Ca 0.00 0.59 -0.03 0.00 -0.00 0.00 0.00 57.45 58.01 1pba n PHE 67 Cb 0.00 -0.78 -0.01 0.00 -0.00 0.00 0.00 39.48 38.69 1pba n PHE 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1pba h LEU 68 N 0.00 -0.14 -0.38 -2.13 3.38 -0.75 -3.24 115.31 112.04 1pba h LEU 68 Ca 0.23 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1pba h LEU 68 Cb 0.35 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1pba h LEU 68 CO -0.50 -0.02 -0.52 -0.33 0.09 0.00 0.00 178.44 177.17 1pba h GLU 69 N -0.33 -0.35 -0.68 1.13 5.08 0.44 -0.66 114.58 119.21 1pba h GLU 69 Ca -0.02 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1pba h GLU 69 Cb 0.13 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.33 1pba h GLU 69 CO 0.03 -0.23 0.19 0.94 -1.00 0.00 0.00 179.01 178.94 1pba n GLN 70 N -5.16 -0.05 -2.18 2.33 7.27 0.33 -0.01 117.38 119.91 1pba n GLN 70 Ca -0.03 0.98 -0.26 0.00 0.07 0.00 0.00 57.00 57.76 1pba n GLN 70 Cb 0.31 -1.65 0.01 0.00 2.41 0.00 0.00 30.24 31.33 1pba n GLN 70 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1pba n ASN 71 N -4.72 4.93 -3.53 1.69 3.02 -0.57 -4.96 115.26 111.12 1pba n ASN 71 Ca 0.21 -3.74 -0.16 0.00 -0.03 0.00 0.00 54.58 50.86 1pba n ASN 71 Cb 0.70 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1pba n ASN 71 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pba n GLU 72 N -0.63 -0.85 -1.73 3.52 2.13 0.99 -4.70 120.64 119.37 1pba n GLU 72 Ca 0.43 -0.12 -0.41 0.00 0.66 0.00 0.00 57.16 57.72 1pba n GLU 72 Cb 0.84 -0.95 -0.01 0.00 0.27 0.00 0.00 31.44 31.58 1pba n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pba n LEU 73 N -2.52 7.61 0.00 4.31 7.94 -0.36 -4.83 117.00 129.14 1pba n LEU 73 Ca -0.09 -4.40 0.00 0.00 -1.11 0.00 0.00 56.01 50.41 1pba n LEU 73 Cb 0.25 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.65 1pba n LEU 73 CO 0.32 1.59 0.00 0.00 -1.11 0.00 0.00 177.39 178.20 1pba n GLN 74 N 4.33 0.00 -4.51 1.96 3.00 -1.26 -4.63 117.38 116.27 1pba n GLN 74 Ca 0.60 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.29 1pba n GLN 74 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.48 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 2.06 0.23 1.08 1.13 -1.26 -0.31 117.35 120.29 1pba s TYR 75 Ca 0.00 -0.83 -0.21 0.00 -1.41 0.00 0.00 57.07 54.62 1pba s TYR 75 Cb 0.00 -1.74 0.06 0.00 -1.10 0.00 0.00 41.96 39.18 1pba s TYR 75 CO 0.00 0.16 0.93 -1.83 -2.51 0.00 0.00 175.55 172.29 1pba s GLU 76 N -3.91 1.55 -0.54 -3.49 -1.05 -0.81 -4.95 118.70 105.50 1pba s GLU 76 Ca 0.21 -0.95 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 1pba s GLU 76 Cb 0.03 0.46 0.40 0.00 -0.44 0.00 0.00 34.13 34.58 1pba s GLU 76 CO 0.12 -0.72 1.25 0.28 0.95 0.00 0.00 175.26 177.13 1pba n VAL 77 N -0.57 2.77 -4.15 1.83 0.31 -1.26 -2.20 118.33 115.06 1pba n VAL 77 Ca -0.05 -4.97 -0.36 0.00 -0.01 0.00 0.00 64.34 58.95 1pba n VAL 77 Cb 0.60 -1.29 -0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1pba n VAL 77 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pba n LEU 78 N -0.44 -0.54 -1.41 7.52 4.32 -1.26 -4.79 117.00 120.39 1pba n LEU 78 Ca 0.40 -1.21 -0.04 0.00 -0.02 0.00 0.00 56.01 55.14 1pba n LEU 78 Cb 0.54 -1.48 0.24 0.00 -1.62 0.00 0.00 43.42 41.10 1pba n LEU 78 CO 0.36 0.59 0.85 2.30 -1.22 0.00 0.00 177.39 180.28 1pba n ILE 79 N -4.57 2.65 0.11 -0.08 -6.64 -1.26 -4.58 119.36 104.99 1pba n ILE 79 Ca -0.22 -2.16 0.00 0.00 -1.77 0.00 0.00 62.75 58.60 1pba n ILE 79 Cb 0.60 -0.33 0.00 0.00 -1.44 0.00 0.00 39.64 38.47 1pba n ILE 79 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 1pba n ASN 80 N -0.75 -0.69 0.00 7.28 6.94 -1.26 -5.27 115.26 121.50 1pba n ASN 80 Ca 0.35 0.38 0.00 0.00 -0.02 0.00 0.00 54.58 55.29 1pba n ASN 80 Cb 1.16 0.80 0.00 0.00 -2.36 0.00 0.00 39.78 39.38 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03